4651-91-6,MFCD00128278
Catalog No.:AA007242

4651-91-6 | 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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Purity
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250mg
97%
in stock  
$6.00   $4.00
- +
1g
97%
in stock  
$9.00   $7.00
- +
5g
97%
in stock  
$31.00   $22.00
- +
10g
97%
in stock  
$60.00   $42.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007242
Chemical Name:
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CAS Number:
4651-91-6
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
MDL Number:
MFCD00128278
SMILES:
N#Cc1c(N)sc2c1CCCC2
NSC Number:
86907
Properties
Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
XLogP3:
2.8  

Upstream Synthesis Route

[1]ArchivderPharmazie,1981,vol.314,#2,p.168-175

[2]Patent:WO2005/44008,2005,A2,.Locationinpatent:Page/Pagecolumn105-106

[3]ChemicalandPharmaceuticalBulletin,2015,vol.63,#6,p.450-456

[1]JournalofMolecularCatalysisB:Enzymatic,2013,vol.95,p.29-35

[2]Synlett,2010,#9,p.1351-1354

[3]SyntheticCommunications,2010,vol.40,#14,p.2067-2074

[4]AppliedOrganometallicChemistry,2018,vol.32,#5,

[5]Patent:WO2005/44008,2005,A2,.Locationinpatent:Page/Pagecolumn91

[6]LettersinOrganicChemistry,2014,vol.11,#9,p.700-705

[7]TetrahedronLetters,2007,vol.48,#18,p.3171-3172

[8]LettersinOrganicChemistry,2014,vol.11,#6,p.403-408

[9]Heterocycles,2014,vol.88,#1,p.741-753

[10]SyntheticCommunications,2001,vol.31,#20,p.3113-3117

[11]SyntheticCommunications,2012,vol.42,#16,p.2367-2374

[12]AppliedOrganometallicChemistry,2017,vol.31,#11,

[13]BulletinoftheKoreanChemicalSociety,2011,vol.32,#6,p.2091-2092

[14]SyntheticCommunications,2013,vol.43,#13,p.1859-1864

[15]JournalofSulfurChemistry,2014,vol.35,#3,p.261-269

[16]ArchivderPharmazie,2016,vol.349,#11,p.827-847

[17]JournalofChemicalResearch,2014,vol.38,#7,p.450-452

[18]SyntheticCommunications,2015,vol.45,#1,p.119-126

[19]MonatsheftefurChemie,2017,vol.148,#4,p.711-716

[20]ResearchonChemicalIntermediates,2018,vol.44,#3,p.2195-2213

[21]Tetrahedron,2006,vol.62,#29,p.7121-7131

[22]JournalofSulfurChemistry,2013,vol.34,#5,p.458-463

[23]JournalofMolecularCatalysisA:Chemical,2013,vol.368-369,p.16-23

[24]AppliedOrganometallicChemistry,2018,vol.32,#2,

[25]Patent:US2010/81823,2010,A1,.Locationinpatent:Page/Pagecolumn7

[26]Patent:CN104945412,2018,B,.Locationinpatent:Paragraph0044;0045

[27]EuropeanJournalofMedicinalChemistry,2013,vol.66,p.32-45

[28]EuropeanJournalofMedicinalChemistry,2017,vol.138,p.38-50

[29]Patent:US2009/275533,2009,A1,.Locationinpatent:Page/Pagecolumn39

[30]Patent:US2010/120805,2010,A1,.Locationinpatent:Page/Pagecolumn42-43

[31]BioconjugateChemistry,2012,vol.23,#12,p.2403-2416

[32]MedicinalChemistryResearch,1996,vol.6,#3,p.148-163

[33]BioorganicandMedicinalChemistryLetters,2007,vol.17,#5,p.1296-1301

[34]Patent:WO2006/58600,2006,A1,.Locationinpatent:Page/Pagecolumn8-9

[35]JournalofHeterocyclicChemistry,2008,vol.45,#3,p.853-857

[36]Patent:US2008/306053,2008,A1,.Locationinpatent:Page/Pagecolumn57

[37]EuropeanJournalofMedicinalChemistry,2010,vol.45,#9,p.4026-4034

[38]ArchivderPharmazie,2010,vol.343,#10,p.590-601

[39]RussianChemicalBulletin,2011,vol.60,#2,p.352-360

[40]BioorganicandMedicinalChemistryLetters,2011,vol.21,#23,p.7089-7093

[41]EgyptianJournalofChemistry,2010,vol.53,#4,p.515-526

[42]JournalofMedicinalChemistry,2013,vol.56,#9,p.3620-3635

[43]EuropeanJournalofMedicinalChemistry,2013,vol.63,p.924-934

[44]JournalofSulfurChemistry,2013,vol.34,#3,p.264-275

[45]BioorganicandMedicinalChemistryLetters,2015,vol.25,#6,p.1306-1309

[46]EuropeanJournalofMedicinalChemistry,2015,vol.106,p.1-14

[47]ChemicalBiologyandDrugDesign,2016,vol.87,#4,p.499-507

[48]TetrahedronLetters,2016,vol.57,#22,p.2455-2461

[49]BioorganicandMedicinalChemistry,2016,vol.24,#18,p.3972-3977

[50]TetrahedronLetters,2017,vol.58,#14,p.1408-1412

[51]ChemicalandPharmaceuticalBulletin,2017,vol.65,#5,p.469-477

[52]JournalofHeterocyclicChemistry,2017,vol.54,#6,p.3672-3681

[53]ChemicalBiologyandDrugDesign,2018,vol.91,#6,p.1141-1155

[54]BioorganicChemistry,2018,vol.80,p.693-705

[55]BulletinoftheChemicalSocietyofEthiopia,2018,vol.32,#2,p.259-270

[1]AdvancedSynthesisandCatalysis,2008,vol.350,#17,p.2740-2746

[2]Synlett,2010,#9,p.1351-1354

[3]SyntheticCommunications,2004,vol.34,#20,p.3801-3806

[4]JournalofHeterocyclicChemistry,2008,vol.45,#3,p.853-857

[5]TurkishJournalofChemistry,2014,vol.38,#4,p.650-660

[1]MonatsheftefurChemie,2016,vol.147,#3,p.619-626

[1]MonatsheftefurChemie,2016,vol.147,#3,p.619-626

Downstream Synthesis Route

[1]Shishoo,C.J.;Devani,M.B.;Bhadti,V.S;Jain,K.S.;Ananthan,S.[JournalofHeterocyclicChemistry,1990,vol.27,#2,p.119-126]

[1]JournalofHeterocyclicChemistry,1990,vol.27,p.119-126

[1]TetrahedronLetters,2017,vol.58,p.1408-1412

[2]Synthesis,2010,p.2413-2418

[3]JournalofHeterocyclicChemistry,1990,vol.27,p.119-126

[4]JournalofHeterocyclicChemistry,1980,vol.17,p.1497-1500

[1]Sukumaran;Rajasekharan[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1990,vol.29,#11,p.1070-1073]

[1]Phosphorus,SulfurandSiliconandtheRelatedElements,2009,vol.184,p.626-637

[2]IlFarmaco,1995,vol.50,p.611-616

[3]Heterocycles,2016,vol.92,p.866-885

Literature

Title: 2-[(4-Chloro-benzyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: 2-[(2-Chloro-benzyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: 2-[(1,3-Benzodioxol-5-yl-methyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20110801

Title: Benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidines: synthesis, characterization, antimicrobial activity, and incorporation into solid lipid nanoparticles.

Journal: Archiv der Pharmazie 20110601

Title: Novel synthesis and antitumor evaluation of polyfunctionally substituted heterocyclic compounds derived from 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-acetamide.

Journal: Molecules (Basel, Switzerland) 20101227

Title: Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C.

Journal: Journal of medicinal chemistry 20101209

Title: Antiarrhythmic, serotonin antagonist and antianxiety activities of novel substituted thiophene derivatives synthesized from 2-amino-4,5,6,7-tetrahydro-N-phenylbenzo[b]thiophene-3-carboxamide.

Journal: European journal of medicinal chemistry 20101201

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:4651-91-6 Molecular Formula|4651-91-6 MDL|4651-91-6 SMILES|4651-91-6 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog No.: AA007242
4651-91-6,MFCD00128278
4651-91-6 | 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Pack Size: 250mg
Purity: 97%
in stock
$6.00 $4.00
Pack Size: 1g
Purity: 97%
in stock
$9.00 $7.00
Pack Size: 5g
Purity: 97%
in stock
$31.00 $22.00
Pack Size: 10g
Purity: 97%
in stock
$60.00 $42.00
Quantity
- +
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Technical Information
Catalog Number: AA007242
Chemical Name: 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CAS Number: 4651-91-6
Molecular Formula: C9H10N2S
Molecular Weight: 178.2541
MDL Number: MFCD00128278
SMILES: N#Cc1c(N)sc2c1CCCC2
NSC Number: 86907
Properties
Complexity: 220  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
XLogP3: 2.8  
Upstream Synthesis Route
4651-91-6    4815-28-5 

[1]ArchivderPharmazie,1981,vol.314,#2,p.168-175

[2]Patent:WO2005/44008,2005,A2,.Locationinpatent:Page/Pagecolumn105-106

[3]ChemicalandPharmaceuticalBulletin,2015,vol.63,#6,p.450-456

108-94-1    109-77-3    4651-91-6 

[1]JournalofMolecularCatalysisB:Enzymatic,2013,vol.95,p.29-35

[2]Synlett,2010,#9,p.1351-1354

[3]SyntheticCommunications,2010,vol.40,#14,p.2067-2074

[4]AppliedOrganometallicChemistry,2018,vol.32,#5,

[5]Patent:WO2005/44008,2005,A2,.Locationinpatent:Page/Pagecolumn91

[6]LettersinOrganicChemistry,2014,vol.11,#9,p.700-705

[7]TetrahedronLetters,2007,vol.48,#18,p.3171-3172

[8]LettersinOrganicChemistry,2014,vol.11,#6,p.403-408

[9]Heterocycles,2014,vol.88,#1,p.741-753

[10]SyntheticCommunications,2001,vol.31,#20,p.3113-3117

[11]SyntheticCommunications,2012,vol.42,#16,p.2367-2374

[12]AppliedOrganometallicChemistry,2017,vol.31,#11,

[13]BulletinoftheKoreanChemicalSociety,2011,vol.32,#6,p.2091-2092

[14]SyntheticCommunications,2013,vol.43,#13,p.1859-1864

[15]JournalofSulfurChemistry,2014,vol.35,#3,p.261-269

[16]ArchivderPharmazie,2016,vol.349,#11,p.827-847

[17]JournalofChemicalResearch,2014,vol.38,#7,p.450-452

[18]SyntheticCommunications,2015,vol.45,#1,p.119-126

[19]MonatsheftefurChemie,2017,vol.148,#4,p.711-716

[20]ResearchonChemicalIntermediates,2018,vol.44,#3,p.2195-2213

[21]Tetrahedron,2006,vol.62,#29,p.7121-7131

[22]JournalofSulfurChemistry,2013,vol.34,#5,p.458-463

[23]JournalofMolecularCatalysisA:Chemical,2013,vol.368-369,p.16-23

[24]AppliedOrganometallicChemistry,2018,vol.32,#2,

[25]Patent:US2010/81823,2010,A1,.Locationinpatent:Page/Pagecolumn7

[26]Patent:CN104945412,2018,B,.Locationinpatent:Paragraph0044;0045

[27]EuropeanJournalofMedicinalChemistry,2013,vol.66,p.32-45

[28]EuropeanJournalofMedicinalChemistry,2017,vol.138,p.38-50

[29]Patent:US2009/275533,2009,A1,.Locationinpatent:Page/Pagecolumn39

[30]Patent:US2010/120805,2010,A1,.Locationinpatent:Page/Pagecolumn42-43

[31]BioconjugateChemistry,2012,vol.23,#12,p.2403-2416

[32]MedicinalChemistryResearch,1996,vol.6,#3,p.148-163

[33]BioorganicandMedicinalChemistryLetters,2007,vol.17,#5,p.1296-1301

[34]Patent:WO2006/58600,2006,A1,.Locationinpatent:Page/Pagecolumn8-9

[35]JournalofHeterocyclicChemistry,2008,vol.45,#3,p.853-857

[36]Patent:US2008/306053,2008,A1,.Locationinpatent:Page/Pagecolumn57

[37]EuropeanJournalofMedicinalChemistry,2010,vol.45,#9,p.4026-4034

[38]ArchivderPharmazie,2010,vol.343,#10,p.590-601

[39]RussianChemicalBulletin,2011,vol.60,#2,p.352-360

[40]BioorganicandMedicinalChemistryLetters,2011,vol.21,#23,p.7089-7093

[41]EgyptianJournalofChemistry,2010,vol.53,#4,p.515-526

[42]JournalofMedicinalChemistry,2013,vol.56,#9,p.3620-3635

[43]EuropeanJournalofMedicinalChemistry,2013,vol.63,p.924-934

[44]JournalofSulfurChemistry,2013,vol.34,#3,p.264-275

[45]BioorganicandMedicinalChemistryLetters,2015,vol.25,#6,p.1306-1309

[46]EuropeanJournalofMedicinalChemistry,2015,vol.106,p.1-14

[47]ChemicalBiologyandDrugDesign,2016,vol.87,#4,p.499-507

[48]TetrahedronLetters,2016,vol.57,#22,p.2455-2461

[49]BioorganicandMedicinalChemistry,2016,vol.24,#18,p.3972-3977

[50]TetrahedronLetters,2017,vol.58,#14,p.1408-1412

[51]ChemicalandPharmaceuticalBulletin,2017,vol.65,#5,p.469-477

[52]JournalofHeterocyclicChemistry,2017,vol.54,#6,p.3672-3681

[53]ChemicalBiologyandDrugDesign,2018,vol.91,#6,p.1141-1155

[54]BioorganicChemistry,2018,vol.80,p.693-705

[55]BulletinoftheChemicalSocietyofEthiopia,2018,vol.32,#2,p.259-270

4354-73-8    4651-91-6 

[1]AdvancedSynthesisandCatalysis,2008,vol.350,#17,p.2740-2746

[2]Synlett,2010,#9,p.1351-1354

[3]SyntheticCommunications,2004,vol.34,#20,p.3801-3806

[4]JournalofHeterocyclicChemistry,2008,vol.45,#3,p.853-857

[5]TurkishJournalofChemistry,2014,vol.38,#4,p.650-660

1809-20-7    1254693-14-5    4651-91-6 

[1]MonatsheftefurChemie,2016,vol.147,#3,p.619-626

1254693-14-5    868-85-9    4651-91-6 

[1]MonatsheftefurChemie,2016,vol.147,#3,p.619-626

Downstream Synthesis Route
4651-91-6    1851-09-8    128277-21-4    128277-22-5 

[1]Shishoo,C.J.;Devani,M.B.;Bhadti,V.S;Jain,K.S.;Ananthan,S.[JournalofHeterocyclicChemistry,1990,vol.27,#2,p.119-126]

4651-91-6    3598-14-9    128277-13-4    128307-32-4 

[1]JournalofHeterocyclicChemistry,1990,vol.27,p.119-126

4651-91-6    100-47-0    77373-46-7 

[1]TetrahedronLetters,2017,vol.58,p.1408-1412

[2]Synthesis,2010,p.2413-2418

[3]JournalofHeterocyclicChemistry,1990,vol.27,p.119-126

[4]JournalofHeterocyclicChemistry,1980,vol.17,p.1497-1500

4651-91-6    3460-49-9    132424-58-9 

[1]Sukumaran;Rajasekharan[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1990,vol.29,#11,p.1070-1073]

4651-91-6    77287-34-4    4994-88-1 

[1]Phosphorus,SulfurandSiliconandtheRelatedElements,2009,vol.184,p.626-637

[2]IlFarmaco,1995,vol.50,p.611-616

[3]Heterocycles,2016,vol.92,p.866-885

Literature fold

Title: 2-[(4-Chloro-benzyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile.

Journal: Acta crystallographica. Section E, Structure reports online20110901

Title: 2-[(2-Chloro-benzyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile.

Journal: Acta crystallographica. Section E, Structure reports online20110901

Title: 2-[(1,3-Benzodioxol-5-yl-methyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile.

Journal: Acta crystallographica. Section E, Structure reports online20110801

Title: Benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidines: synthesis, characterization, antimicrobial activity, and incorporation into solid lipid nanoparticles.

Journal: Archiv der Pharmazie20110601

Title: Novel synthesis and antitumor evaluation of polyfunctionally substituted heterocyclic compounds derived from 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-acetamide.

Journal: Molecules (Basel, Switzerland)20101227

Title: Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C.

Journal: Journal of medicinal chemistry20101209

Title: Antiarrhythmic, serotonin antagonist and antianxiety activities of novel substituted thiophene derivatives synthesized from 2-amino-4,5,6,7-tetrahydro-N-phenylbenzo[b]thiophene-3-carboxamide.

Journal: European journal of medicinal chemistry20101201

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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