Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate

Base Information

• Chemical Name: Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate
• CAS No.: 25464-85-1
• Molecular Formula: C₁₉H₂₀Cl₂N₂O₄
• Molecular Weight: 411.285
• European Community (EC) Number: 667-347-3

Synonyms:AKOS024431032;BIS(2-CHLOROETHYL) N,N'-(METHYLENEDI-4,1-PHENYLENE)BISCARBAMATE

Chemical Property of Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 410.0800125
• Heavy Atom Count: 27
• Complexity: 411

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)OCCCl)NC(=O)OCCCl

Technology Process of Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate

There total 1 articles about Bis(2-chloroethyl) N,N'-(methylenedi-4,1-phenylene)biscarbamate 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:

4,4'-diamino diphenyl methane (101-77-9) + 2-Chloroethyl chloroformate (627-11-2) → N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid bis-(2-chloro-ethyl ester) (25464-85-1)

Guidance literature:

With acetone;

Reference yield:

N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid bis-(2-chloro-ethyl ester) (25464-85-1) → N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid bis-(2-iodo-ethyl ester) (102080-81-9)

Guidance literature:

With acetone; sodium iodide;

Reference yield:

N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid bis-(2-chloro-ethyl ester) (25464-85-1) → N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid bis-(2-trimethylammonio-ethyl ester); diiodide (124161-58-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone; NaI

2: acetone

With acetone; sodium iodide;

upstream raw materials:

4,4'-diamino diphenyl methane

2-Chloroethyl chloroformate

Downstream raw materials:

N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid bis-(2-iodo-ethyl ester)

N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid bis-(2-trimethylammonio-ethyl ester); diiodide

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