L-Glutamic acid, N-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]-

Base Information

Chemical Name:L-Glutamic acid, N-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]-
CAS No.:156078-79-4
Molecular Formula:C16H20Cl2N2O6
Molecular Weight:407.251
Hs Code.:
DSSTox Substance ID:DTXSID80439834
Nikkaji Number:J680.568J
Wikidata:Q82255926
ChEMBL ID:CHEMBL12830
Mol file:156078-79-4.mol

Synonyms:156078-79-4;L-Glutamic acid, N-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]-;N-(4-[N,N-bis(2-chloroethyl)amino]-phenoxycarbonyl)-L-glutamic acid;(2S)-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]pentanedioic Acid;CHEMBL12830;SCHEMBL4469539;DTXSID80439834;AKOS030607094;N-[4-[Bis(2-chloroethyl)amino]phenoxycarbonyl]-L-glutamic acid

Suppliers and Price of L-Glutamic acid, N-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]-

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
Packaging
price

Total 2 raw suppliers

Chemical Property of L-Glutamic acid, N-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]-

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:406.0698418
Heavy Atom Count:26
Complexity:466

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1N(CCCl)CCCl)OC(=O)NC(CCC(=O)O)C(=O)O
Isomeric SMILES:C1=CC(=CC=C1N(CCCl)CCCl)OC(=O)N[C@@H](CCC(=O)O)C(=O)O

Technology Process of L-Glutamic acid, N-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]-

There total 4 articles about L-Glutamic acid, N-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]- 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: 79.0%

: 156078-80-7
(S)-2-{4-[Bis-(2-chloro-ethyl)-amino]-phenoxycarbonylamino}-pentanedioic acid dibenzyl ester

: 156078-79-4
4-[N,N-bis(2-chloroethyl)amino]-phenoxycarbonyl-L-glutamic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate; for 2h;
DOI:10.1021/jm950671l

Reference yield:

: 1457-06-3
4-[N,N-bis(2-chloroethyl)amino]phenol hydrochloride

: 156078-79-4
4-[N,N-bis(2-chloroethyl)amino]-phenoxycarbonyl-L-glutamic acid

Guidance literature:: Multi-step reaction with 3 steps

1: aq. NaHCO₃, quinoline / toluene / 1 h / Ambient temperature

2: Et₃N / CHCl₃ / 1 h / Ambient temperature

3: 79 percent / H₂ / 30percent Pd/C / ethyl acetate / 2 h

With quinoline; hydrogen; sodium hydrogencarbonate; triethylamine; palladium on activated charcoal; In chloroform; ethyl acetate; toluene;
DOI:10.1021/jm950671l

Reference yield:

: 52177-49-8
4-[N,N-bis(2-chloroethyl)amino]phenyl chloroformate

: 156078-79-4
4-[N,N-bis(2-chloroethyl)amino]-phenoxycarbonyl-L-glutamic acid

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / CHCl₃ / 1 h / Ambient temperature

2: 79 percent / H₂ / 30percent Pd/C / ethyl acetate / 2 h

With hydrogen; triethylamine; palladium on activated charcoal; In chloroform; ethyl acetate;
DOI:10.1021/jm950671l