Cyclopentanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester

Base Information

• Chemical Name: Cyclopentanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester
• CAS No.: 13909-05-2
• Molecular Formula: C11H18ClN3O4
• Molecular Weight: 291.7313
• NSC Number: 99431
• DSSTox Substance ID: DTXSID10160902
• Nikkaji Number: J77.922I
• ChEMBL ID: CHEMBL12805
• Mol file: 13909-05-2.mol

Synonyms:Cyclopentanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester;13909-05-2;NSC 99431;BRN 2882822;AI3-52789;CHEMBL12805;DTXSID10160902;NSC99431;NSC-99431;1-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester;Cyclopentanecarboxylic acid, 1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, ethyl ester;Cyclopentanecarboxylic aicd, 1-[3-(2-chloroethyl)-3-nitrosoureido]-, ethyl ester

Chemical Property of Cyclopentanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.36g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 291.0985838
• Heavy Atom Count: 19
• Complexity: 345

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCCC1)NC(=O)N(CCCl)N=O

Technology Process of Cyclopentanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester

There total 2 articles about Cyclopentanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester 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:

ethyl 1-aminocyclopentanecarboxylate (1664-35-3) → 1-({[(2-chloroethyl)nitrosoamino]carbonyl}amino)-cyclopentanecarboxylic acid, ethyl ester (13909-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: NaNO₂, HCO₂H

With formic acid; sodium nitrite; In diethyl ether;

DOI:10.1021/jm00324a026

Reference yield:

1-[3-(2-Chloro-ethyl)-ureido]-cyclopentanecarboxylic acid ethyl ester (13908-10-6) → 1-({[(2-chloroethyl)nitrosoamino]carbonyl}amino)-cyclopentanecarboxylic acid, ethyl ester (13909-05-2)

Guidance literature:

With formic acid; sodium nitrite;

DOI:10.1021/jm00324a026

upstream raw materials:

1-[3-(2-Chloro-ethyl)-ureido]-cyclopentanecarboxylic acid ethyl ester

ethyl 1-aminocyclopentanecarboxylate

Refernces