N-Ethyl-N-methylcarbamoyl chloride

Base Information

• Chemical Name: N-Ethyl-N-methylcarbamoyl chloride
• CAS No.: 42252-34-6
• Molecular Formula: C4H8ClNO
• Molecular Weight: 121.567
• Hs Code.: 2903199000
• European Community (EC) Number: 479-390-3,610-003-4
• DSSTox Substance ID: DTXSID60459696
• Wikidata: Q72475828
• Mol file: 42252-34-6.mol

Synonyms:42252-34-6;N-Ethyl-N-methylcarbamoyl chloride;ETHYLMETHYL-CARBAMIC CHLORIDE;ethyl(methyl)carbamic chloride;N-Ethyl-N-methylcarbamoylchloride;N-Ethyl-N-methyl carbamoyl chloride;Ethylmethylcarbamic chloride;N-ethyl-N-methyl carbamoylchloride;Ethylmethyl-carbamicchloride;N-ETHYL-N-METHYL-CARBAMOYL CHLORIDE;Carbamic chloride, ethylmethyl-;N-ETHYL-N-METHYLCARBAMONYL CHLORIDE;Ethylmethyl carbamyl chloride;SCHEMBL414542;ethyl(methyl)carbamoyl chloride;DTXSID60459696;XZVYDRLPXWFRIS-UHFFFAOYSA-N;BCP27350;MFCD08061404;AKOS006285962;MB05193;N-Ethyl-N-Methylcarbamoyl Chloride+B31;AS-12359;A6907;AM20090787;CARBAMIC CHLORIDE, N-ETHYL-N-METHYL-;CS-0198150;E0963;FT-0649367;NS00077874;EN300-213540;F20387;Q-101326

Chemical Property of N-Ethyl-N-methylcarbamoyl chloride

Chemical Property:

• Vapor Pressure: 1.9mmHg at 25°C
• Refractive Index: 1.441
• Boiling Point: 165.1 °C at 760 mmHg
• PKA: -1.85±0.70(Predicted)
• Flash Point: 53.7 °C
• PSA: 20.31000
• Density: 1.101 g/cm³
• LogP: 1.29690
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.0294416
• Heavy Atom Count: 7
• Complexity: 74.1

Purity/Quality:

99% ^*data from raw suppliers

N-Ethyl-N-methylcarbamoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(C)C(=O)Cl

Technology Process of N-Ethyl-N-methylcarbamoyl chloride

There total 6 articles about N-Ethyl-N-methylcarbamoyl 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: 92.0%

N-Ethylmethylamine (624-78-2) + bis(trichloromethyl) carbonate (32315-10-9) → N-ethyl-N-methylcarbamoyl chloride (42252-34-6)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 10 - 20 ℃; for 3h; Product distribution / selectivity;

Reference yield: 92.0%

C2H5CH3NC(S)SSC(S)NCH3C2H5 (155722-99-9) → N-ethyl-N-methylcarbamoyl chloride (42252-34-6)

Guidance literature:

C₂H₅CH₃NC(S)SSC(S)NCH₃C₂H₅; With chlorine; In dichloromethane; at 24 - 26 ℃; for 6.33333h; Cooling with ice;

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

DOI:10.1080/00397910903537331

Reference yield: 90.0%

N-Ethylmethylamine (624-78-2) + chloro(chlorosulfanyl)methanone (2757-23-5) → N-ethyl-N-methylcarbamoyl chloride (42252-34-6)

Guidance literature:

N-Ethylmethylamine; chloro(chlorosulfanyl)methanone; In dichloromethane; at 40 ℃; for 3h; Inert atmosphere;

With chlorine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1139/V10-138

upstream raw materials:

N-Ethylmethylamine

trichloromethyl chloroformate

phosgene

bis(trichloromethyl) carbonate

Downstream raw materials:

rac-rivastigmine

1-(N-ethyl-N-methylaminocarbonyloxy)-3-acetylbenzene

rivastigmine hydrochloride

(E)-3,5,4'-tri[(N-ethyl-N-methylcarbamoyl)oxy]stilbene

Refernces

• 1、 -. "Cannabidiol carbamate compound, pharmaceutical preparation, preparation method and application". Paragraph 0038-0042. . Retrieved 2021/01/30.
• 2、 Jiang, Xia,Liu, Xin-Hua,Shi, Jingbo,Tang, Wenjian,Wang, Sheng,Wu, Chengyao,Xu, Yingying,Zha, Liang,Zhang, Jing,Zhang, Ziwen,Zuo, Jiawei. "Novel cannabidiol?carbamate hybrids as selective BuChE inhibitors: Docking-based fragment reassembly for the development of potential therapeutic agents against Alzheimer's disease". . . Retrieved 2021/08/10.