L-Methionine, N-(3-(bis(2-chloroethyl)amino)-N-(4-fluoro-L-phenylalanyl)-L-phenylalanyl)-, ethyl ester, monohydrochloride

Base Information

Chemical Name:L-Methionine, N-(3-(bis(2-chloroethyl)amino)-N-(4-fluoro-L-phenylalanyl)-L-phenylalanyl)-, ethyl ester, monohydrochloride
CAS No.:83996-50-3
Molecular Formula:C₂₉H₃₉Cl₂FN₄O₄S*ClH
Molecular Weight:666.084
Hs Code.:
DSSTox Substance ID:DTXSID201004255
Mol file:83996-50-3.mol

Synonyms:3-(4-fluorophenyl)Ala-3-(3-bis(2-chloroethyl)aminophenyl)Ala-Met ethyl ester;3-(4-fluorophenyl)alanyl-3-(3-bis(2-chloroethyl)aminophenyl)alanyl-methionine ethyl ester;ambamustine;PTT 119;PTT-119;PTT.119

Suppliers and Price of L-Methionine, N-(3-(bis(2-chloroethyl)amino)-N-(4-fluoro-L-phenylalanyl)-L-phenylalanyl)-, ethyl ester, monohydrochloride

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

American Custom Chemicals Corporation
AMBAMUSTINE HYDROCHLORIDE 95.00%
5MG
$ 500.96

Total 2 raw suppliers

Chemical Property of L-Methionine, N-(3-(bis(2-chloroethyl)amino)-N-(4-fluoro-L-phenylalanyl)-L-phenylalanyl)-, ethyl ester, monohydrochloride

Chemical Property:

Vapor Pressure:4.06E-25mmHg at 25°C
Boiling Point:792.7°C at 760 mmHg
Flash Point:433.2°C
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:20
Exact Mass:663.186739
Heavy Atom Count:42
Complexity:785

Purity/Quality:: AMBAMUSTINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(CCSC)CC(=O)C(CC1=CC(=CC=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=C(C=C2)F)N.Cl
Isomeric SMILES:CCOC(=O)[C@H](CCSC)CC(=O)[C@H](CC1=CC(=CC=C1)N(CCCl)CCCl)NC(=O)[C@H](CC2=CC=C(C=C2)F)N.Cl

Technology Process of L-Methionine, N-(3-(bis(2-chloroethyl)amino)-N-(4-fluoro-L-phenylalanyl)-L-phenylalanyl)-, ethyl ester, monohydrochloride

There total 6 articles about L-Methionine, N-(3-(bis(2-chloroethyl)amino)-N-(4-fluoro-L-phenylalanyl)-L-phenylalanyl)-, ethyl ester, monohydrochloride 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: 39.6%

: 76477-58-2
3-(p-fluorophenyl)-N-formyl-L-alanyl-3--L-alanyl-L-methionine ethyl ester

: 83996-50-3
3-(p-fluorophenyl)-L-alanyl-3-<-m-bis-(2-chloroethyl)aminophenyl>-L-alanyl-L-methionine ethyl ester hydrochloride

Guidance literature:: With hydrogenchloride; at 20 - 25 ℃; for 4h;

Reference yield:

: 3082-77-7
L-methionine ethyl ester

: 83996-50-3
3-(p-fluorophenyl)-L-alanyl-3-<-m-bis-(2-chloroethyl)aminophenyl>-L-alanyl-L-methionine ethyl ester hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / DCC, N-hydroxysuccinimide / dimethylformamide / 5 deg C, 30 min; 20 deg C, 20 h

2: 39.6 percent / HCl (4.1percent w/v in EtOH) / 4 h / 20 - 25 °C

With hydrogenchloride; 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide;

Reference yield:

: 76485-31-9
3-(p-fluorophenyl)-N-formyl-L-alanyl-3--L-alanine

: 83996-50-3
3-(p-fluorophenyl)-L-alanyl-3-<-m-bis-(2-chloroethyl)aminophenyl>-L-alanyl-L-methionine ethyl ester hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / DCC, N-hydroxysuccinimide / dimethylformamide / 5 deg C, 30 min; 20 deg C, 20 h

2: 39.6 percent / HCl (4.1percent w/v in EtOH) / 4 h / 20 - 25 °C

With hydrogenchloride; 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide;