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Home Amines 503859-26-5
503859-26-5,MFCD03855459
Catalog No.:AA00DBU0

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

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$112.00   $78.00
- +
5g
98%
in stock  
$311.00   $218.00
- +
25g
98%
in stock  
$809.00   $567.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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
Properties
 
BP:
440.2±35.0 °C(Predicted)  
Form:
Solid  
MP:
88 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
350  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.9  

Downstream Synthesis Route

[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]

[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]

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

[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]

Literature
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Tags:503859-26-5 Molecular Formula|503859-26-5 MDL|503859-26-5 SMILES|503859-26-5 Methyl 4-(cyclohexylamino)-3-nitrobenzoate