Diethyl N-(4-amino-2-chlorobenzoyl)-L-glutamate

Base Information

Chemical Name:Diethyl N-(4-amino-2-chlorobenzoyl)-L-glutamate
CAS No.:80014-92-2
Molecular Formula:C16H21ClN2O5
Molecular Weight:356.80100
Hs Code.:
DSSTox Substance ID:DTXSID90512965

Synonyms:80014-92-2;Diethyl N-(4-amino-2-chlorobenzoyl)-L-glutamate;L-Glutamic acid, N-(4-amino-2-chlorobenzoyl)-, diethyl ester;diethyl (2S)-2-[(4-amino-2-chlorobenzoyl)amino]pentanedioate;SCHEMBL9556468;DTXSID90512965

Suppliers and Price of Diethyl N-(4-amino-2-chlorobenzoyl)-L-glutamate

Supply Marketing:

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

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Chemical Property of Diethyl N-(4-amino-2-chlorobenzoyl)-L-glutamate

Chemical Property:

PSA：111.21000
LogP:3.08300
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:356.1138995
Heavy Atom Count:24
Complexity:446

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(C=C(C=C1)N)Cl
Isomeric SMILES:CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=C(C=C(C=C1)N)Cl

Technology Process of Diethyl N-(4-amino-2-chlorobenzoyl)-L-glutamate

There total 3 articles about Diethyl N-(4-amino-2-chlorobenzoyl)-L-glutamate 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%

: 80014-91-1
diethyl N-(2-chloro-4-nitrobenzoyl)-L-glutamate

: 80014-92-2
diethyl N-(4-amino-2-chlorobenzoyl)-L-glutamate

Guidance literature:: With sodium dithionite; sodium hydrogencarbonate; In ethanol; water; for 1h; Ambient temperature;
DOI:10.1021/jm00154a007

Reference yield:

: 99-60-5
2-chloro-4-nitrobenzoic acid

: 80014-92-2
diethyl N-(4-amino-2-chlorobenzoyl)-L-glutamate

Guidance literature:: Multi-step reaction with 3 steps

1: SOCl₂ / Heating

2: 72 percent / pyridine / toluene / 1.5 h / 0 - 25 °C

3: 44 percent / NaHCO₃, sodium dithionite / ethanol; H₂O / 1 h / Ambient temperature

With pyridine; thionyl chloride; sodium dithionite; sodium hydrogencarbonate; In ethanol; water; toluene;
DOI:10.1021/jm00154a007

Reference yield:

: 7073-36-1
2-chloro-4-nitrobenzoyl chloride

: 80014-92-2
diethyl N-(4-amino-2-chlorobenzoyl)-L-glutamate

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / pyridine / toluene / 1.5 h / 0 - 25 °C

2: 44 percent / NaHCO₃, sodium dithionite / ethanol; H₂O / 1 h / Ambient temperature

With pyridine; sodium dithionite; sodium hydrogencarbonate; In ethanol; water; toluene;
DOI:10.1021/jm00154a007