Diisobutylcarbamoyl chloride

Base Information

• Chemical Name: Diisobutylcarbamoyl chloride
• CAS No.: 38952-42-0
• Molecular Formula: C9H18 Cl N O
• Molecular Weight: 191.701
• Hs Code.: 2903199000
• European Community (EC) Number: 254-213-0
• UNII: 57B2M5TFF3
• DSSTox Substance ID: DTXSID70192249
• Nikkaji Number: J319.871E
• Wikidata: Q83064906
• Mol file: 38952-42-0.mol

Synonyms:Diisobutylcarbamoyl chloride;38952-42-0;57B2M5TFF3;EINECS 254-213-0;UNII-57B2M5TFF3;N,N-bis(2-methylpropyl)carbamoyl chloride;SCHEMBL6122810;DTXSID70192249;N,N-Diisobutylcarbamic acid chloride;AKOS017514269;N,N-Bis(2-methylpropyl)carbamic chloride;Carbamic chloride, N,N-bis(2-methylpropyl)-;EN300-1612002

Chemical Property of Diisobutylcarbamoyl chloride

Chemical Property:

• Vapor Pressure: 0.0203mmHg at 25°C
• Boiling Point: 251.6°Cat760mmHg
• Flash Point: 105.9°C
• PSA: 20.31000
• Density: 0.99g/cm³
• LogP: 2.95920
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 191.1076919
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN(CC(C)C)C(=O)Cl

Technology Process of Diisobutylcarbamoyl chloride

There total 5 articles about Diisobutylcarbamoyl chloride 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: 87.0%

tetra(isobutyl)thiuram disulfide (3064-73-1) → diisobutylcarbamic acid chloride (38952-42-0)

Guidance literature:

tetra(isobutyl)thiuram disulfide; With chlorine; In dichloromethane; at 24 - 26 ℃; for 7.58333h; Cooling with ice;

With water; sodium hydrogencarbonate; In dichloromethane; Cooling with ice;

DOI:10.1080/00397910903537331

Reference yield: 84.0%

diisobutylamine (110-96-3) + chloro(chlorosulfanyl)methanone (2757-23-5) → diisobutylcarbamic acid chloride (38952-42-0)

Guidance literature:

diisobutylamine; chloro(chlorosulfanyl)methanone; In dichloromethane; at 40 ℃; Inert atmosphere;

With chlorine; In dichloromethane; at 20 ℃;

DOI:10.1139/V10-138

Reference yield:

phosgene (75-44-5) + diisobutylamine (110-96-3) → carbamic chloride (463-72-9) + diisobutylcarbamic acid chloride (38952-42-0)

Guidance literature:

In chlorobenzene;

upstream raw materials:

phosgene

diisobutylamine

tetra(isobutyl)thiuram disulfide

chloro(chlorosulfanyl)methanone

Downstream raw materials:

N,N,N′,N′-tetra-iso-butylurea

1,1-diisobutyl-3-(4-trifluoroacetyl-phenyl)-urea

N,N-diphenylurea

Butylate

Refernces

• 1、 Adeppa,Rupainwar,Misra, Krishna. "Development of an improved method for conversion of thiuram disulfides into N,N-dialkylcarbamoyl halides and derivatives". experimental part. p. 285 - 290. Retrieved 2011/03/20.
• 2、 -. "Process for the preparation of carbamoyl chlorides derived from secondary amines". . . Retrieved 2008/06/13.