1201-93-0,MFCD00121193
Catalog No.:AA000Q7Z

1201-93-0 | (E)-3-(dimethylamino)-1-phenylprop-2-en-1-one

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Purity
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250mg
98%
in stock  
$12.00   $8.00
- +
1g
98%
in stock  
$45.00   $31.00
- +
5g
98%
in stock  
$147.00   $103.00
- +
10g
98%
in stock  
$198.00   $139.00
- +
25g
98%
in stock  
$493.00   $345.00
- +
100g
98%
in stock  
$1,791.00 $1,254.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000Q7Z
Chemical Name:
(E)-3-(dimethylamino)-1-phenylprop-2-en-1-one
CAS Number:
1201-93-0
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00121193
SMILES:
CN(C=CC(=O)c1ccccc1)C
NSC Number:
601833
Properties
Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Upstream Synthesis Route

[1]RSCAdvances,2017,vol.7,#45,p.28483-28488

[2]Patent:CN108383763,2018,A,.Locationinpatent:Paragraph0044;0046

[3]Patent:US2011/195993,2011,A1,.Locationinpatent:Page/Pagecolumn10;14

[4]JournalofOrganicChemistry,1980,vol.45,#24,p.4857-4860

[5]BioorganicandMedicinalChemistryLetters,2011,vol.21,#4,p.1214-1217

[6]OrganicProcessResearchandDevelopment,2008,vol.12,#3,p.490-495

[7]Patent:WO2014/125426,2014,A1,.Locationinpatent:Page/Pagecolumn54;55

[8]BioorganicandMedicinalChemistryLetters,2008,vol.18,#20,p.5609-5613

[9]Patent:WO2010/129049,2010,A1,.Locationinpatent:Page/Pagecolumn114;118

[10]BioorganicandMedicinalChemistryLetters,2011,vol.21,#15,p.4528-4532

[11]ChemicalCommunications,2016,vol.52,#83,p.12306-12309

[12]Molecules,2017,vol.22,#12,

[13]Patent:WO2006/123648,2006,A1,.Locationinpatent:Page/Pagecolumn20

[14]JournalofHeterocyclicChemistry,1996,vol.33,#6,p.1707-1710

[15]BioorganicandMedicinalChemistry,2011,vol.19,#8,p.2742-2750

[16]Patent:EP3287456,2018,A1,.Locationinpatent:Paragraph0175

[17]JournalofHeterocyclicChemistry,1987,vol.24,p.837-843

[18]JournaloftheChineseChemicalSociety,2003,vol.50,#2,p.283-296

[19]BioorganicandMedicinalChemistryLetters,2003,vol.13,#18,p.3055-3057

[20]JournaloftheAmericanChemicalSociety,2010,vol.132,#44,p.15531-15533

[21]JournaloftheIndianChemicalSociety,2010,vol.87,#6,p.739-742

[22]ACSCombinatorialScience,2011,vol.13,#4,p.427-435

[23]SyntheticCommunications,2012,vol.42,#10,p.1521-1531

[24]Tetrahedron,2012,vol.68,#25,p.5046-5052

[25]OrganicLetters,2012,vol.14,#15,p.3920-3923

[26]TetrahedronLetters,2013,vol.54,#21,p.2612-2614

[27]BioorganicandMedicinalChemistryLetters,2014,vol.24,#6,p.1581-1588

[28]MedicinalChemistryResearch,2015,vol.24,#6,p.2742-2755

[29]SyntheticCommunications,2015,vol.45,#16,p.1902-1911

[30]JournalofHeterocyclicChemistry,2015,vol.52,#5,p.1296-1301

[31]SyntheticCommunications,2015,vol.45,#23,p.2683-2690

[32]BioorganicandMedicinalChemistry,2016,vol.24,#8,p.1749-1756

[33]NewJournalofChemistry,2016,vol.40,#5,p.4705-4709

[34]Chemistry-AEuropeanJournal,2016,vol.22,#29,p.9966-9970

[35]Molecules,2015,vol.20,#5,p.8800-8815

[36]BioorganicandMedicinalChemistry,2016,vol.24,#23,p.6166-6173

[37]EuropeanJournalofMedicinalChemistry,2017,vol.128,p.1-12

[38]LettersinOrganicChemistry,2017,vol.14,#5,p.353-360

[39]EuropeanJournalofMedicinalChemistry,2018,vol.155,p.545-551

[40]EuropeanJournalofMedicinalChemistry,2018,vol.152,p.307-317

[41]Patent:WO2018/142365,2018,A1,.Locationinpatent:Page/Pagecolumn66

[42]BioorganicChemistry,2019,vol.83,p.549-558

[43]ChemicalCommunications,2018,vol.54,#99,p.13953-13956

[1]ChemicalCommunications,2015,vol.51,#55,p.11108-11111

[1]ResearchonChemicalIntermediates,2017,vol.43,#10,p.5547-5555

[1]OrganicLetters,2014,vol.16,#16,p.4146-4149

[1]ChemicalCommunications,2016,vol.52,#99,p.14314-14317

Downstream Synthesis Route

[1]Heterocycles,1992,vol.33,p.357-374

[2]ZhurnalObshcheiKhimii,1957,vol.27,p.452,456;engl.Ausg.S.511,514

[3]JournalofOrganicChemistry,1966,vol.31,p.1565-1569

[4]OrganicLetters,2019,vol.21,p.835-839

[1]ChemischeBerichte,1957,vol.90,p.942,951    ChemischeBerichte,1958,vol.91,p.2830,2831

[1]ArchivderPharmazie,1994,vol.327,p.33-40

[1]ArchivderPharmazie,1994,vol.327,p.221-224

[1]Hassanien,AbuZeidA.;Ghozlan,SaidA.S.;Elnagdi,MohamedH.[JournalofHeterocyclicChemistry,2003,vol.40,#2,p.225-228]

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Quotation Request
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Additional Info:
SDS
Tags:1201-93-0 Molecular Formula|1201-93-0 MDL|1201-93-0 SMILES|1201-93-0 (E)-3-(dimethylamino)-1-phenylprop-2-en-1-one
Catalog No.: AA000Q7Z
1201-93-0,MFCD00121193
1201-93-0 | (E)-3-(dimethylamino)-1-phenylprop-2-en-1-one
Pack Size: 250mg
Purity: 98%
in stock
$12.00 $8.00
Pack Size: 1g
Purity: 98%
in stock
$45.00 $31.00
Pack Size: 5g
Purity: 98%
in stock
$147.00 $103.00
Pack Size: 10g
Purity: 98%
in stock
$198.00 $139.00
Pack Size: 25g
Purity: 98%
in stock
$493.00 $345.00
Pack Size: 100g
Purity: 98%
in stock
$1,791.00 $1,254.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000Q7Z
Chemical Name: (E)-3-(dimethylamino)-1-phenylprop-2-en-1-one
CAS Number: 1201-93-0
Molecular Formula: C11H13NO
Molecular Weight: 175.2270
MDL Number: MFCD00121193
SMILES: CN(C=CC(=O)c1ccccc1)C
NSC Number: 601833
Properties
Complexity: 190  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Upstream Synthesis Route
4637-24-5    98-86-2    1201-93-0 

[1]RSCAdvances,2017,vol.7,#45,p.28483-28488

[2]Patent:CN108383763,2018,A,.Locationinpatent:Paragraph0044;0046

[3]Patent:US2011/195993,2011,A1,.Locationinpatent:Page/Pagecolumn10;14

[4]JournalofOrganicChemistry,1980,vol.45,#24,p.4857-4860

[5]BioorganicandMedicinalChemistryLetters,2011,vol.21,#4,p.1214-1217

[6]OrganicProcessResearchandDevelopment,2008,vol.12,#3,p.490-495

[7]Patent:WO2014/125426,2014,A1,.Locationinpatent:Page/Pagecolumn54;55

[8]BioorganicandMedicinalChemistryLetters,2008,vol.18,#20,p.5609-5613

[9]Patent:WO2010/129049,2010,A1,.Locationinpatent:Page/Pagecolumn114;118

[10]BioorganicandMedicinalChemistryLetters,2011,vol.21,#15,p.4528-4532

[11]ChemicalCommunications,2016,vol.52,#83,p.12306-12309

[12]Molecules,2017,vol.22,#12,

[13]Patent:WO2006/123648,2006,A1,.Locationinpatent:Page/Pagecolumn20

[14]JournalofHeterocyclicChemistry,1996,vol.33,#6,p.1707-1710

[15]BioorganicandMedicinalChemistry,2011,vol.19,#8,p.2742-2750

[16]Patent:EP3287456,2018,A1,.Locationinpatent:Paragraph0175

[17]JournalofHeterocyclicChemistry,1987,vol.24,p.837-843

[18]JournaloftheChineseChemicalSociety,2003,vol.50,#2,p.283-296

[19]BioorganicandMedicinalChemistryLetters,2003,vol.13,#18,p.3055-3057

[20]JournaloftheAmericanChemicalSociety,2010,vol.132,#44,p.15531-15533

[21]JournaloftheIndianChemicalSociety,2010,vol.87,#6,p.739-742

[22]ACSCombinatorialScience,2011,vol.13,#4,p.427-435

[23]SyntheticCommunications,2012,vol.42,#10,p.1521-1531

[24]Tetrahedron,2012,vol.68,#25,p.5046-5052

[25]OrganicLetters,2012,vol.14,#15,p.3920-3923

[26]TetrahedronLetters,2013,vol.54,#21,p.2612-2614

[27]BioorganicandMedicinalChemistryLetters,2014,vol.24,#6,p.1581-1588

[28]MedicinalChemistryResearch,2015,vol.24,#6,p.2742-2755

[29]SyntheticCommunications,2015,vol.45,#16,p.1902-1911

[30]JournalofHeterocyclicChemistry,2015,vol.52,#5,p.1296-1301

[31]SyntheticCommunications,2015,vol.45,#23,p.2683-2690

[32]BioorganicandMedicinalChemistry,2016,vol.24,#8,p.1749-1756

[33]NewJournalofChemistry,2016,vol.40,#5,p.4705-4709

[34]Chemistry-AEuropeanJournal,2016,vol.22,#29,p.9966-9970

[35]Molecules,2015,vol.20,#5,p.8800-8815

[36]BioorganicandMedicinalChemistry,2016,vol.24,#23,p.6166-6173

[37]EuropeanJournalofMedicinalChemistry,2017,vol.128,p.1-12

[38]LettersinOrganicChemistry,2017,vol.14,#5,p.353-360

[39]EuropeanJournalofMedicinalChemistry,2018,vol.155,p.545-551

[40]EuropeanJournalofMedicinalChemistry,2018,vol.152,p.307-317

[41]Patent:WO2018/142365,2018,A1,.Locationinpatent:Page/Pagecolumn66

[42]BioorganicChemistry,2019,vol.83,p.549-558

[43]ChemicalCommunications,2018,vol.54,#99,p.13953-13956

75-52-5    124-40-3    98-86-2    1201-93-0 

[1]ChemicalCommunications,2015,vol.51,#55,p.11108-11111

14677-24-8    124-40-3    1201-93-0 

[1]ResearchonChemicalIntermediates,2017,vol.43,#10,p.5547-5555

220436-00-0    1201-93-0 

[1]OrganicLetters,2014,vol.16,#16,p.4146-4149

3506-36-3    1201-93-0 

[1]ChemicalCommunications,2016,vol.52,#99,p.14314-14317

Downstream Synthesis Route
1201-93-0    1006-67-3 

[1]Heterocycles,1992,vol.33,p.357-374

[2]ZhurnalObshcheiKhimii,1957,vol.27,p.452,456;engl.Ausg.S.511,514

[3]JournalofOrganicChemistry,1966,vol.31,p.1565-1569

[4]OrganicLetters,2019,vol.21,p.835-839

1201-93-0    540-69-2    77287-34-4    3438-48-0 

[1]ChemischeBerichte,1957,vol.90,p.942,951    ChemischeBerichte,1958,vol.91,p.2830,2831

1201-93-0    55244-11-6    56162-65-3 

[1]ArchivderPharmazie,1994,vol.327,p.33-40

1201-93-0    1004-38-2    19181-38-5 

[1]ArchivderPharmazie,1994,vol.327,p.221-224

1201-93-0    1118-61-2    102147-20-6 

[1]Hassanien,AbuZeidA.;Ghozlan,SaidA.S.;Elnagdi,MohamedH.[JournalofHeterocyclicChemistry,2003,vol.40,#2,p.225-228]

Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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