N-(2-chloroethyl)dicarbonimidic diamide

Base Information

• Chemical Name: N-(2-chloroethyl)dicarbonimidic diamide
• CAS No.: 16791-91-6
• Molecular Formula: C₄H₈ClN₃O₂
• Molecular Weight: 165.579
• NSC Number: 83098
• DSSTox Substance ID: DTXSID30292471
• Wikidata: Q82030786
• Mol file: 16791-91-6.mol

Synonyms:16791-91-6;N-(2-chloroethyl)dicarbonimidic diamide;NSC83098;DTXSID30292471;NSC-83098;1-carbamoyl-3-(2-chloro-ethyl)-urea;AKOS006387025

Chemical Property of N-(2-chloroethyl)dicarbonimidic diamide

Chemical Property:

• Density: 1.362g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.0305042
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)NC(=O)NC(=O)N

Technology Process of N-(2-chloroethyl)dicarbonimidic diamide

There total 2 articles about N-(2-chloroethyl)dicarbonimidic diamide 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: 29.0%

N-Cyano-N'-(2-chloroethyl)-O-methylpseudourea → N-(2-Chloroethyl)biuret (16791-91-6)

Guidance literature:

With hydrogenchloride; Heating;

Reference yield:

1-Methyl-1-nitroso-biuret (13860-69-0) + 2-chloroethanamine hydrochloride (870-24-6) → N-(2-Chloroethyl)biuret (16791-91-6)

Guidance literature:

Multistep reaction; (i) Et₃N, H₂O, (ii) /BRN= 1775240/;

DOI:10.1021/jm00316a034

upstream raw materials:

1-Methyl-1-nitroso-biuret

2-chloroethanamine hydrochloride

Refernces

• 1、 Johnston,Opliger. "The synthesis of potential anticancer agents. XXXVII. N-nitrosoureas. 3. 1,5-bis(2-chloroethyl)-1-nitrosobiuret and related derivatives of biurets, biureas, and carboxamides.". . p. 675 - 681. Retrieved 2007/10/09.