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768-52-5,MFCD00026347
Catalog No.:AA003T1Y

768-52-5 | N-Isopropylaniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
98%
in stock  
$15.00   $11.00
- +
25g
98%
in stock  
$20.00   $14.00
- +
100g
98%
in stock  
$75.00   $53.00
- +
500g
98%
in stock  
$84.00   $59.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003T1Y
Chemical Name:
N-Isopropylaniline
CAS Number:
768-52-5
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
MDL Number:
MFCD00026347
SMILES:
CC(Nc1ccccc1)C
UN Number:
2810
Properties
Properties
 
BP:
203.0°C  
Form:
Liquid  
MP:
-32°C  
Refractive Index:
n20/D 1.539(lit.)  
Storage:
Light sensitive;Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
82.7  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Upstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1983,vol.105,#5,p.1122-1126

[1]TetrahedronLetters,1985,vol.26,#18,p.2155-2158

[2]RSCAdvances,2015,vol.5,#48,p.38748-38759

[1]RSCAdvances,2015,vol.5,#48,p.38748-38759

Downstream Synthesis Route
768-52-5    4761-00-6   
<i>N</i>-isopropyl-<i>N</i>-(2,4,6-trimethyl-benzyl)-aniline 

[1]Memorialdesserviceschimiquesdel'Etat,1946,vol.32,p.62,65,66

[1]ChemCatChem,2014,vol.6,p.1794-1800

[2]OrganicLetters,2019

[3]Tetrahedron,2016,vol.72,p.8516-8521

[4]RussianJournalofOrganicChemistry,2018,vol.54,p.1652-1659    Zh.Org.Khim.,2018,vol.54,p.1642-1648,7

[5]TetrahedronLetters,1981,vol.22,p.2667-2670

[6]SyntheticCommunications,1996,vol.26,p.161-164

[7]JournalofOrganicChemistry,1984,vol.49,p.3359-3363

[8]Patent:US2580284,1949,

[9]EuropeanJournalofOrganicChemistry,2019,vol.2019,p.6855-6866

[10]DaltonTransactions,2019,vol.48,p.17579-17587

[1]ChemistryLetters,2008,vol.37,p.948-949

[2]ChineseJournalofChemistry,2017,vol.35,p.1371-137

[3]Synthesis,1993,p.121-125

[4]Tetrahedron,1996,vol.52,p.9777-9784

[5]Synthesis,1993,p.121-125

[6]Tetrahedron,1996,vol.52,p.9777-9784

[7]IndianJournalofChemistry,SectionA:Inorganic,Physical,TheoreticalandAnalytical,1994,vol.33,p.941-943

[8]RSCAdvances,2016,vol.6,p.94068-94073

[9]Synthesis,1991,p.1043-1045

[10]Synthesis,1991,p.1043-1045

[11]TetrahedronLetters,2007,vol.48,p.1273-1276

[12]AngewandteChemie-InternationalEdition,2018,vol.57,p.2469-2473    Angew.Chem.,2018,vol.130,p.2494-2498,5

[13]ChemistryLetters,2012,vol.41,p.1628-1629

[14]TetrahedronLetters,2010,vol.51,p.689-691

[15]ChemicalCommunications,2015,vol.51,p.6625-6628

[16]JournaloftheAmericanChemicalSociety,2001,vol.123,p.8502-8508

[17]JournaloftheAmericanChemicalSociety,2016,vol.138,p.10356-10364

[18]AdvancedSynthesisandCatalysis,2015,vol.357,p.1525-1531

[19]PharmaceuticalChemistryJournal,2000,vol.34,p.76-78

[20]IndianJournalofChemistry,SectionA:Inorganic,Physical,TheoreticalandAnalytical,1990,vol.29,p.1115-1117

[21]JournalofOrganicChemistry,1963,vol.28,p.3259-3261

[22]JournalofOrganicChemistry,1978,vol.43,p.4750-4758

[23]SyntheticCommunications,1984,vol.14,p.1213-1220

[24]Synlett,2005,p.583-586

[25]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.854-858

[26]JournalofChemicalInformationandModeling,2015,vol.55,p.1616-1627

[27]NewJournalofChemistry,2016,vol.40,p.2089-2101

[28]ACSCatalysis,2016,vol.6,p.1793-1798

[29]AngewandteChemie-InternationalEdition,2017,vol.56,p.7218-7222    Angew.Chem.,2017,vol.129,p.7324-7328,5

[30]AdvancedSynthesisandCatalysis,2017,vol.359,p.2542-2548

[31]AdvancedSynthesisandCatalysis,2017,vol.359,p.3654-3664

[32]Patent:WO2017/212289,2017,A1.Locationinpatent:Page/Pagecolumn22;23

[33]AdvancedSynthesisandCatalysis,2018,vol.360,p.1066-1071

[34]Patent:DE376013,    Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.398

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1989,vol.38,p.1555-1557    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1989,vol.38,p.1694-1696

[2]TetrahedronLetters,2004,vol.45,p.8797-8800

[3]JournaloftheChemicalSociety,1930,p.992

[4]JournalofPhysicalOrganicChemistry,2013,vol.26,p.144-150

[5]OrganicandBiomolecularChemistry,2015,vol.13,p.6299-6312

[1]OrganicLetters,2013,vol.15,p.5294-5297

[2]GreenChemistry,2016,vol.18,p.2323-2330

[3]JournalofOrganicChemistry,1963,vol.28,p.2769-2772

[4]JournaloftheChemicalSociety.PerkintransactionsII,1984,p.1803-1808

[5]Patent:US4258059,1981,A

[6]JournaloftheAmericanChemicalSociety,2013,vol.135,p.468-473

[7]Chemistry-AEuropeanJournal,2014,vol.20,p.14245-14249

[8]TetrahedronLetters,2016,vol.57,p.2511-2514

[9]Chemistry-AnAsianJournal,2017,vol.12,p.2804-2808

[10]OrganicandBiomolecularChemistry,2018,vol.16,p.4471-4481

[11]ChemicalCommunications,2018,vol.54,p.7794-7797

Literature

Title: Amido-based potassium-alkaline earth metallates--synthesis and structures of heterobimetallic complexes of heavy s-block elements.

Journal: Dalton transactions (Cambridge, England : 2003) 20110828

Title: Reduction of 2-chloro-N-phenylpropanamide and 2-methyl-N-phenylaziridine with lithium aluminium hydride.

Journal: Organic & biomolecular chemistry 20080521

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

Title: Differential phospholipase C activation by phenylalkylamine serotonin 5-HT 2A receptor agonists.

Journal: Journal of neurochemistry 20051201

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

Title: Rapid mineralisation of the herbicide isoproturon in soil from a previously treated Danish agricultural field.

Journal: Pest management science 20031001

Title: N-dealkylation of an N-cyclopropylamine by horseradish peroxidase. Fate of the cyclopropyl group.

Journal: Journal of the American Chemical Society 20010905

Title: Identification of impurities in technical anilofos and their effect on transplanted rice.

Journal: Journal of agricultural and food chemistry 20010801

Title: Characterization of two novel propachlor degradation pathways in two species of soil bacteria.

Journal: Applied and environmental microbiology 19990201

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Tags:768-52-5 Molecular Formula|768-52-5 MDL|768-52-5 SMILES|768-52-5 N-Isopropylaniline
Catalog No.: AA003T1Y
768-52-5,MFCD00026347
768-52-5 | N-Isopropylaniline
Pack Size： 10g
Purity： 98%
in stock
$15.00 $11.00
Pack Size： 25g
Purity： 98%
in stock
$20.00 $14.00
Pack Size： 100g
Purity： 98%
in stock
$75.00 $53.00
Pack Size： 500g
Purity： 98%
in stock
$84.00 $59.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003T1Y
Chemical Name: N-Isopropylaniline
CAS Number: 768-52-5
Molecular Formula: C9H13N
Molecular Weight: 135.2062
MDL Number: MFCD00026347
SMILES: CC(Nc1ccccc1)C
UN Number: 2810
Properties
BP: 203.0°C  
Form: Liquid  
MP: -32°C  
Refractive Index: n20/D 1.539(lit.)  
Storage: Light sensitive;Inert atmosphere;Room Temperature;  
Complexity: 82.7  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Upstream Synthesis Route
74-98-6    62-53-3    99-88-7    5369-16-4    768-52-5    643-28-7 

[1]JournaloftheAmericanChemicalSociety,1983,vol.105,#5,p.1122-1126

768-52-5    93957-49-4 

[1]TetrahedronLetters,1985,vol.26,#18,p.2155-2158

[2]RSCAdvances,2015,vol.5,#48,p.38748-38759

768-52-5    93957-50-7 

[1]RSCAdvances,2015,vol.5,#48,p.38748-38759

Downstream Synthesis Route
768-52-5    4761-00-6   
<i>N</i>-isopropyl-<i>N</i>-(2,4,6-trimethyl-benzyl)-aniline 

[1]Memorialdesserviceschimiquesdel'Etat,1946,vol.32,p.62,65,66

62-53-3    67-63-0    768-52-5 

[1]ChemCatChem,2014,vol.6,p.1794-1800

[2]OrganicLetters,2019

[3]Tetrahedron,2016,vol.72,p.8516-8521

[4]RussianJournalofOrganicChemistry,2018,vol.54,p.1652-1659    Zh.Org.Khim.,2018,vol.54,p.1642-1648,7

[5]TetrahedronLetters,1981,vol.22,p.2667-2670

[6]SyntheticCommunications,1996,vol.26,p.161-164

[7]JournalofOrganicChemistry,1984,vol.49,p.3359-3363

[8]Patent:US2580284,1949,

[9]EuropeanJournalofOrganicChemistry,2019,vol.2019,p.6855-6866

[10]DaltonTransactions,2019,vol.48,p.17579-17587

62-53-3    67-64-1    768-52-5 

[1]ChemistryLetters,2008,vol.37,p.948-949

[2]ChineseJournalofChemistry,2017,vol.35,p.1371-137

[3]Synthesis,1993,p.121-125

[4]Tetrahedron,1996,vol.52,p.9777-9784

[5]Synthesis,1993,p.121-125

[6]Tetrahedron,1996,vol.52,p.9777-9784

[7]IndianJournalofChemistry,SectionA:Inorganic,Physical,TheoreticalandAnalytical,1994,vol.33,p.941-943

[8]RSCAdvances,2016,vol.6,p.94068-94073

[9]Synthesis,1991,p.1043-1045

[10]Synthesis,1991,p.1043-1045

[11]TetrahedronLetters,2007,vol.48,p.1273-1276

[12]AngewandteChemie-InternationalEdition,2018,vol.57,p.2469-2473    Angew.Chem.,2018,vol.130,p.2494-2498,5

[13]ChemistryLetters,2012,vol.41,p.1628-1629

[14]TetrahedronLetters,2010,vol.51,p.689-691

[15]ChemicalCommunications,2015,vol.51,p.6625-6628

[16]JournaloftheAmericanChemicalSociety,2001,vol.123,p.8502-8508

[17]JournaloftheAmericanChemicalSociety,2016,vol.138,p.10356-10364

[18]AdvancedSynthesisandCatalysis,2015,vol.357,p.1525-1531

[19]PharmaceuticalChemistryJournal,2000,vol.34,p.76-78

[20]IndianJournalofChemistry,SectionA:Inorganic,Physical,TheoreticalandAnalytical,1990,vol.29,p.1115-1117

[21]JournalofOrganicChemistry,1963,vol.28,p.3259-3261

[22]JournalofOrganicChemistry,1978,vol.43,p.4750-4758

[23]SyntheticCommunications,1984,vol.14,p.1213-1220

[24]Synlett,2005,p.583-586

[25]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.854-858

[26]JournalofChemicalInformationandModeling,2015,vol.55,p.1616-1627

[27]NewJournalofChemistry,2016,vol.40,p.2089-2101

[28]ACSCatalysis,2016,vol.6,p.1793-1798

[29]AngewandteChemie-InternationalEdition,2017,vol.56,p.7218-7222    Angew.Chem.,2017,vol.129,p.7324-7328,5

[30]AdvancedSynthesisandCatalysis,2017,vol.359,p.2542-2548

[31]AdvancedSynthesisandCatalysis,2017,vol.359,p.3654-3664

[32]Patent:WO2017/212289,2017,A1.Locationinpatent:Page/Pagecolumn22;23

[33]AdvancedSynthesisandCatalysis,2018,vol.360,p.1066-1071

[34]Patent:DE376013,    Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.398

62-53-3    75-26-3    768-52-5 

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1989,vol.38,p.1555-1557    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1989,vol.38,p.1694-1696

[2]TetrahedronLetters,2004,vol.45,p.8797-8800

[3]JournaloftheChemicalSociety,1930,p.992

[4]JournalofPhysicalOrganicChemistry,2013,vol.26,p.144-150

[5]OrganicandBiomolecularChemistry,2015,vol.13,p.6299-6312

768-52-5    24642-83-9 

[1]OrganicLetters,2013,vol.15,p.5294-5297

[2]GreenChemistry,2016,vol.18,p.2323-2330

[3]JournalofOrganicChemistry,1963,vol.28,p.2769-2772

[4]JournaloftheChemicalSociety.PerkintransactionsII,1984,p.1803-1808

[5]Patent:US4258059,1981,A

[6]JournaloftheAmericanChemicalSociety,2013,vol.135,p.468-473

[7]Chemistry-AEuropeanJournal,2014,vol.20,p.14245-14249

[8]TetrahedronLetters,2016,vol.57,p.2511-2514

[9]Chemistry-AnAsianJournal,2017,vol.12,p.2804-2808

[10]OrganicandBiomolecularChemistry,2018,vol.16,p.4471-4481

[11]ChemicalCommunications,2018,vol.54,p.7794-7797

Literature fold

Title: Amido-based potassium-alkaline earth metallates--synthesis and structures of heterobimetallic complexes of heavy s-block elements.

Journal: Dalton transactions (Cambridge, England : 2003)20110828

Title: Reduction of 2-chloro-N-phenylpropanamide and 2-methyl-N-phenylaziridine with lithium aluminium hydride.

Journal: Organic & biomolecular chemistry20080521

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

Title: Differential phospholipase C activation by phenylalkylamine serotonin 5-HT 2A receptor agonists.

Journal: Journal of neurochemistry20051201

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology20050601

Title: Rapid mineralisation of the herbicide isoproturon in soil from a previously treated Danish agricultural field.

Journal: Pest management science20031001

Title: N-dealkylation of an N-cyclopropylamine by horseradish peroxidase. Fate of the cyclopropyl group.

Journal: Journal of the American Chemical Society20010905

Title: Identification of impurities in technical anilofos and their effect on transplanted rice.

Journal: Journal of agricultural and food chemistry20010801

Title: Characterization of two novel propachlor degradation pathways in two species of soil bacteria.

Journal: Applied and environmental microbiology19990201

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2034415-98-8
2034415-98-8
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