Methyl 2-[[(E)-3-[bis(2-chloroethyl)amino]prop-2-enoyl]amino]-3-phenyl-propanoate

Base Information

Chemical Name:Methyl 2-[[(E)-3-[bis(2-chloroethyl)amino]prop-2-enoyl]amino]-3-phenyl-propanoate
CAS No.:18450-45-8
Molecular Formula:C17H22Cl2N2O3
Molecular Weight:373.279
Hs Code.:
DSSTox Substance ID:DTXSID90292013

Synonyms:18450-45-8;METHYL 2-[[(E)-3-[BIS(2-CHLOROETHYL)AMINO]PROP-2-ENOYL]AMINO]-3-PHENYL-PROPANOATE;NCIOpen2_008718;DTXSID90292013

Suppliers and Price of Methyl 2-[[(E)-3-[bis(2-chloroethyl)amino]prop-2-enoyl]amino]-3-phenyl-propanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 2 raw suppliers

Chemical Property of Methyl 2-[[(E)-3-[bis(2-chloroethyl)amino]prop-2-enoyl]amino]-3-phenyl-propanoate

Chemical Property:

Vapor Pressure:3.3E-12mmHg at 25°C
Boiling Point:551.5°C at 760 mmHg
Flash Point:287.3°C
Density:1.226g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:372.1007480
Heavy Atom Count:24
Complexity:407

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(CC1=CC=CC=C1)NC(=O)C=CN(CCCl)CCCl

Technology Process of Methyl 2-[[(E)-3-[bis(2-chloroethyl)amino]prop-2-enoyl]amino]-3-phenyl-propanoate

There total 2 articles about Methyl 2-[[(E)-3-[bis(2-chloroethyl)amino]prop-2-enoyl]amino]-3-phenyl-propanoate 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:

: 334-22-5
N,N-bis(chloro-2-ethyl)amine

: 18450-49-2
methyl N-(propiolyl)-L-phenylalanine

: 18450-45-8
(S)-2-{(E)-3-[Bis-(2-chloro-ethyl)-amino]-acryloylamino}-3-phenyl-propionic acid methyl ester

Guidance literature:: In dichloromethane;
DOI:10.1021/jm00316a040

Reference yield:

: 7524-50-7
methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

: 18450-45-8
(S)-2-{(E)-3-[Bis-(2-chloro-ethyl)-amino]-acryloylamino}-3-phenyl-propionic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: DCC, Et₃N / CH₂Cl₂

2: CH₂Cl₂

With triethylamine; dicyclohexyl-carbodiimide; In dichloromethane;
DOI:10.1021/jm00316a040