Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (E)-

Base Information

• Chemical Name: Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (E)-
• CAS No.: 60285-32-7
• Molecular Formula: C₁₁H₁₈ClN₃O₄
• Molecular Weight: 291.735
• NSC Number: 155950,155948
• DSSTox Substance ID: DTXSID60210027
• Nikkaji Number: J75.366A,J75.367J
• ChEMBL ID: CHEMBL2051746,CHEMBL2051939
• Mol file: 60285-32-7.mol

Synonyms:60285-32-7;Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (E)-;61137-47-1;NSC 155948;NSC 155950;methyl 4-({[(2-chloroethyl)(nitroso)amino]carbonyl}amino)cyclohexanecarboxylate;cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid methyl ester;Cyclohexanecarboxylic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, methyl ester, c;Cyclohexanecarboxylic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, methyl ester, t;Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (Z)-;trans-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid methyl ester;CHEMBL2051746;CHEMBL2051939;DTXSID60210027;NSC155948;NSC155950;NSC-155948;NSC-155950;Cyclohexanecarboxylic acid, methyl ester, (E)-;Cyclohexanecarboxylic acid, methyl ester, (Z)-;Cyclohexanecarboxylic acid, methyl ester, cis-;Cyclohexanecarboxylic acid, methyl ester, trans-

Chemical Property of Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (E)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 88.07000
• Density: 1.4g/cm³
• LogP: 2.04090
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 291.0985838
• Heavy Atom Count: 19
• Complexity: 332

Purity/Quality:

90%,98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCC(CC1)NC(=O)N(CCCl)N=O

Technology Process of Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (E)-

There total 2 articles about Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (E)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-[3-(2-Chloro-ethyl)-ureido]-cyclohexanecarboxylic acid methyl ester (61367-18-8) → C11H18ClN3O4 (60285-32-7)

Guidance literature:

With formic acid; sodium nitrite;

DOI:10.1021/jm00212a019

Reference yield:

methyl (1s,4s)-4-aminocyclohexane-1-carboxylate (62456-15-9,75143-07-6) → C11H18ClN3O4 (60285-32-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: NaNO₂, HCO₂H

With sodium hydroxide; formic acid; sodium nitrite;

DOI:10.1021/jm00212a019

upstream raw materials:

4-[3-(2-Chloro-ethyl)-ureido]-cyclohexanecarboxylic acid methyl ester

methyl (1s,4s)-4-aminocyclohexane-1-carboxylate