Carbamic acid, (2-chloroethyl)nitroso-, 2,5-dioxo-1-pyrrolidinyl ester

Base Information

• Chemical Name: Carbamic acid, (2-chloroethyl)nitroso-, 2,5-dioxo-1-pyrrolidinyl ester
• CAS No.: 80354-49-0
• Molecular Formula: C7H8ClN3O5
• Molecular Weight: 249.611
• DSSTox Substance ID: DTXSID20230261
• Nikkaji Number: J67.548B
• Wikidata: Q83110717
• ChEMBL ID: CHEMBL50513
• Mol file: 80354-49-0.mol

Synonyms:ICIG 1734;80354-49-0;BRN 4704704;CARBAMIC ACID, (2-CHLOROETHYL)NITROSO-, 2,5-DIOXO-1-PYRROLIDINYL ESTER;(2-Chloroethyl)nitrosocarbamic acid 2,5-dioxo-1-pyrrolidinyl ester;N-(Chloro-2 ethyl) N-nitrosocarbamate de succinimidyle [French];N-(Chloro-2 ethyl) N-nitrosocarbamate de succinimidyle;C7H8ClN3O5;CHEMBL50513;C7-H8-Cl-N3-O5;ICIG-1734;DTXSID20230261;LS-49145

Chemical Property of Carbamic acid, (2-chloroethyl)nitroso-, 2,5-dioxo-1-pyrrolidinyl ester

Chemical Property:

• Vapor Pressure: 5.52E-05mmHg at 25°C
• Boiling Point: 347.1°Cat760mmHg
• Flash Point: 163.7°C
• PSA: 96.35000
• Density: 1.68g/cm³
• LogP: 0.34710
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 249.0152481
• Heavy Atom Count: 16
• Complexity: 318

Purity/Quality:

97% ^*data from raw suppliers

CARBAMIC ACID, (2-CHLOROETHYL)NITROSO-, 2,5-DIOXO-1-PYRROLIDINYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1=O)OC(=O)N(CCCl)N=O

Technology Process of Carbamic acid, (2-chloroethyl)nitroso-, 2,5-dioxo-1-pyrrolidinyl ester

There total 2 articles about Carbamic acid, (2-chloroethyl)nitroso-, 2,5-dioxo-1-pyrrolidinyl ester 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: 96.0%

N-(2-chloroethyl)carbamic acid N'-hydroxysuccinimide ester (80354-45-6) → N-(2-chloroethyl)-N-nitrosocarbamic acid N-hydroxypyrrolidine-2,5-dione ester (80354-49-0)

Guidance literature:

With pyridine; nitrosylchloride; at -20 ℃; for 0.5h;

DOI:10.1021/jm00344a017

Reference yield:

di(succinimido) carbonate (74124-79-1) → N-(2-chloroethyl)-N-nitrosocarbamic acid N-hydroxypyrrolidine-2,5-dione ester (80354-49-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 61.5 percent / triethylamine / acetonitrile / Ambient temperature

2: N₂O₄, sodium acetate / CCl₄

With sodium acetate; dinitrogen tetraoxide; triethylamine; In tetrachloromethane; acetonitrile;

DOI:10.1016/S0040-4039(00)85958-4

Reference yield: 92.0%

N-(2-chloroethyl)-N-nitrosocarbamic acid N-hydroxypyrrolidine-2,5-dione ester (80354-49-0) + [(S)-5-{(S)-2-[(R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-propionylamino]-3-phenyl-propionylamino}-5-(2-methylamino-ethylcarbamoyl)-pentyl]-carbamic acid 9H-fluoren-9-ylmethyl ester; hydrochloride → N-(2-chloroethyl)-N'-methyl-N'-{2-[D-(N-9-fluorenylmethoxycarbonylalanyl)-L-phenylalanyl-L-(Nω-9-fluorenylmethoxycarbonyllysyl)amino]ethyl}-N-nitrosourea (183444-97-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; at 0 ℃; for 2.5h;

DOI:10.1055/s-1996-4368

upstream raw materials:

N-(2-chloroethyl)carbamic acid N'-hydroxysuccinimide ester

di(succinimido) carbonate

Downstream raw materials:

N₁-(2-chloroethyl)-N₃-glucosamino-N₁-nitrosourea

bis N,N'-cystamine

Q(NO)-Pro-Lys(BOC)-Pro-Val-NH2

(2-chloroethyl)nitrosourea phenylalanine (2-chloroethyl)amide

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