Dimethylcarbamoyl chloride

Base Information

• Chemical Name: Dimethylcarbamoyl chloride
• CAS No.: 79-44-7
• Deprecated CAS: 342009-25-0,2283397-74-8
• Molecular Formula: C3H6ClNO
• Molecular Weight: 107.54
• Hs Code.: 29241990
• European Community (EC) Number: 201-208-6
• NSC Number: 122671
• UN Number: 2262
• UNII: 5D54S95GT6
• DSSTox Substance ID: DTXSID1020512
• Nikkaji Number: J3.844J
• Wikipedia: Dimethylcarbamoyl_chloride
• Wikidata: Q2563907
• NCI Thesaurus Code: C44378
• ChEMBL ID: CHEMBL1527556
• Mol file: 79-44-7.mol

Synonyms:dimethylcarbamoyl chloride;dimethylcarbamyl chloride

Chemical Property of Dimethylcarbamoyl chloride

Chemical Property:

• Appearance/Colour: colorless to yellow liquid
• Vapor Pressure: 1.76mmHg at 25°C
• Melting Point: -33 °C
• Refractive Index: NFPA RATINGS
• Boiling Point: 166.8 °C at 760 mmHg
• PKA: -1.85±0.70(Predicted)
• Flash Point: 68.3 °C
• PSA: 20.31000
• Density: 1.146 g/cm³
• LogP: 0.90680
• Sensitive.: Moisture Sensitive
• Water Solubility.: Decomposes
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 107.0137915
• Heavy Atom Count: 6
• Complexity: 61.8
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Dimethylcarbamoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 45-22-23-36/37/38
• Safety Statements: 53-45-99

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: CN(C)C(=O)Cl
• Uses: Dimethylcarbamoyl chloride has been used primarily as a chemical intermediate in the production of dyes, pharmaceuticals, pesticides, and rocket fuel (IARC 1999, HSDB 2009). As a chemical intermediate in the manufacture of carbamate drugs and pesticides Dimethylcarbamyl chloride is used to make dyes and pharmaceuticals.

Technology Process of Dimethylcarbamoyl chloride

There total 27 articles about Dimethylcarbamoyl 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: 96.2%

phosgene (75-44-5) + dimethyl amine (124-40-3) → N,N-Dimethylcarbamoyl chloride (79-44-7)

Guidance literature:

at 200 ℃; Temperature;

Reference yield: 88.0%

bis(trichloromethyl) carbonate (32315-10-9) + dimethyl amine (124-40-3) → N,N-Dimethylcarbamoyl chloride (79-44-7)

Guidance literature:

With sodium hydroxide; for 0.0333333h; Neat (no solvent);

DOI:10.1016/j.cclet.2012.06.025

Reference yield: 88.0%

chloro(chlorosulfanyl)methanone (2757-23-5) + dimethyl amine (124-40-3) → N,N-Dimethylcarbamoyl chloride (79-44-7)

Guidance literature:

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

With chlorine; In dichloromethane; at 20 ℃;

DOI:10.1139/V10-138

upstream raw materials:

phosgene

N,N-dimethylammonium chloride

dimethyl amine

benzene

Downstream raw materials:

1-Dimethylcarbamoyl-aziridin

N,N-dimethylpyrrolidine-1-carboxamide

piperazine-1-carboxylic acid dimethylamide

N,N,4-trimethyl-1-piperazinecarboxamide

Refernces

• 1、 Bansal, Yogita,Kaur, Sukhvir. "Dual inhibitors of Interleukin-6 and acetylcholinesterase for treatment of Alzheimer's disease: Design, docking, synthesis and biological evaluation". . . Retrieved 2021/11/13.
• 2、 Feng, Jia-Hao,He, Qi-Wei,Hou, Ji-Qin,Hu, Xiao-Long,Long, Huan,Wang, Bao-Lin,Wang, Hao,Wang, Quan,Wang, Rong,Ye, Wen-Cai,Zhang, Li-Xin,Zhang, Xiao-Qi. "Synthesis and Biological Evaluation of Celastrol Derivatives with Improved Cytotoxic Selectivity and Antitumor Activities". . p. 1954 - 1966. Retrieved 2021/07/20.