Cyclohexanecarboxylic acid, 4-((1-aziridinyl(bis(2-chloroethyl)amino)phosphinyl)amino)-, ethyl ester, cis-

Base Information

• Chemical Name: Cyclohexanecarboxylic acid, 4-((1-aziridinyl(bis(2-chloroethyl)amino)phosphinyl)amino)-, ethyl ester, cis-
• CAS No.: 117112-31-9
• Molecular Formula: C₁₅H₂₈Cl₂N₃O₃P
• Molecular Weight: 400.285
• DSSTox Substance ID: DTXSID60922294
• Mol file: 117112-31-9.mol

Synonyms:117112-31-9;Cyclohexanecarboxylic acid, 4-((1-aziridinyl(bis(2-chloroethyl)amino)phosphinyl)amino)-, ethyl ester, cis-;C15H28Cl2N3O3P;DTXSID60922294;C15-H28-Cl2-N3-O3-P;LS-56617;Ethyl 4-({(aziridin-1-yl)[bis(2-chloroethyl)amino]phosphoryl}amino)cyclohexane-1-carboxylate

Chemical Property of Cyclohexanecarboxylic acid, 4-((1-aziridinyl(bis(2-chloroethyl)amino)phosphinyl)amino)-, ethyl ester, cis-

Chemical Property:

• Vapor Pressure: 1.51E-09mmHg at 25°C
• Boiling Point: 484.7°Cat760mmHg
• Flash Point: 246.9°C
• Density: 1.28g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 399.1245341
• Heavy Atom Count: 24
• Complexity: 451

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCC(CC1)NP(=O)(N2CC2)N(CCCl)CCCl

Technology Process of Cyclohexanecarboxylic acid, 4-((1-aziridinyl(bis(2-chloroethyl)amino)phosphinyl)amino)-, ethyl ester, cis-

There total 2 articles about Cyclohexanecarboxylic acid, 4-((1-aziridinyl(bis(2-chloroethyl)amino)phosphinyl)amino)-, ethyl ester, cis- 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: 44.0%

ethyleneimine (151-56-4,9002-98-6) + C13H24Cl3N2O3P (117112-21-7) → ethyl N-phosphoryl-cis-4-aminocyclohexanecarboxylate (117112-31-9)

Guidance literature:

With triethylamine; In diethyl ether;

DOI:10.1007/BF00958340

Reference yield:

cis-4-amino-cyclohexanecarboxylic acid ethyl ester (1678-68-8,3685-28-7,51498-33-0) → ethyl N-phosphoryl-cis-4-aminocyclohexanecarboxylate (117112-31-9)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 1.) 0 deg C, 1 h, 2.) ca.20 deg C, 2 h, 3.) 12 h

2: 44 percent / Et₃N / diethyl ether

With triethylamine; In diethyl ether;

DOI:10.1007/BF00958340

upstream raw materials:

ethyleneimine

C₁₃H₂₄Cl₃N₂O₃P

cis-4-amino-cyclohexanecarboxylic acid ethyl ester