Name: Name:Methyl 4-(cyclohexylamino)-3-nitrobenzoate
Brand: AABLOCKS
SKU: AA00DBU0
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00DBU0

Chemical Name: Methyl 4-(cyclohexylamino)-3-nitrobenzoate

CAS Number: 503859-26-5

Molecular Formula: C14H18N2O4

Molecular Weight: 278.3037

MDL Number: MFCD03855459

SMILES: COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CCCCC1

Properties

BP: 440.2±35.0 °C(Predicted)

Form: Solid

MP: 88 °C

Storage: Keep in dry area;2-8℃;

Complexity: 350

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 20

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.9

Downstream Synthesis Route

14719-83-6

108-91-8

503859-26-5

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/108687,2004,A2Locationinpatent:Page22;30

[2]Chauhan;Singh,Ram;Geetanjali[SyntheticCommunications,2003,vol.33,#16,p.2899-2906]

[3]Hofmans,Sam;Berghe,TomVanden;Devisscher,Lars;Hassannia,Behrouz;Lyssens,Sophie;Joossens,Jurgen;VanDerVeken,Pieter;Vandenabeele,Peter;Augustyns,Koen[JournalofMedicinalChemistry,2016,vol.59,#5,p.2041-2053]

[4]Skouta,Rachid;Dixon,ScottJ.;Wang,Jianlin;Dunn,DeniseE.;Orman,Marina;Shimada,Kenichi;Rosenberg,PaulA.;Lo,DonaldC.;Weinberg,JoelM.;Linkermann,Andreas;Stockwell,BrentR.[JournaloftheAmericanChemicalSociety,2014,vol.136,#12,p.4551-4556]

N-cyclohexyl-2-N'-cyclohexyl-(4'-methoxycarbonyl-2'-nitrophenyl)amino-2-phenylacetamide

40934-39-2

503859-26-5

[1]Dai,Wei-Min;Li,Huoming[Tetrahedron,2007,vol.63,#52,p.12866-12876]

503859-26-5

503859-27-6

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2003/134853,2003,A1

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/108687,2004,A2Locationinpatent:Page22;30

[3]Skouta,Rachid;Dixon,ScottJ.;Wang,Jianlin;Dunn,DeniseE.;Orman,Marina;Shimada,Kenichi;Rosenberg,PaulA.;Lo,DonaldC.;Weinberg,JoelM.;Linkermann,Andreas;Stockwell,BrentR.[JournaloftheAmericanChemicalSociety,2014,vol.136,#12,p.4551-4556]

[4]Hofmans,Sam;Berghe,TomVanden;Devisscher,Lars;Hassannia,Behrouz;Lyssens,Sophie;Joossens,Jurgen;VanDerVeken,Pieter;Vandenabeele,Peter;Augustyns,Koen[JournalofMedicinalChemistry,2016,vol.59,#5,p.2041-2053]

[5]Maiti,Barnali;Chanda,Kaushik;Selvaraju,Manikandan;Tseng,Chih-Chung;Sun,Chung-Ming[ACSCombinatorialScience,2013,vol.15,#6,p.291-297]

[6]Chen,Li-Hsun;Chung,Tsai-Wen;Narhe,BharatD.;Sun,Chung-Ming[ACSCombinatorialScience,2016,vol.18,#3,p.162-169]

[7]Yao,Po-HsinEric;Kumar,Sunil;Liu,Yu-Li;Fang,Chiu-Ping;Liu,Chia-Chen;Sun,Chung-Ming[ACSCombinatorialScience,2017,vol.19,#4,p.271-275]

14719-83-6

503859-26-5

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2003/134853,2003,A1

329-59-9

108-91-8

503859-26-5

[1]Maiti,Barnali;Chanda,Kaushik;Selvaraju,Manikandan;Tseng,Chih-Chung;Sun,Chung-Ming[ACSCombinatorialScience,2013,vol.15,#6,p.291-297]

[2]Chen,Li-Hsun;Chung,Tsai-Wen;Narhe,BharatD.;Sun,Chung-Ming[ACSCombinatorialScience,2016,vol.18,#3,p.162-169]

[3]Yao,Po-HsinEric;Kumar,Sunil;Liu,Yu-Li;Fang,Chiu-Ping;Liu,Chia-Chen;Sun,Chung-Ming[ACSCombinatorialScience,2017,vol.19,#4,p.271-275]

503859-26-5 | Methyl 4-(cyclohexylamino)-3-nitrobenzoate