Methanaminium, N-(1-chloroethylidene)-N-methyl-, chloride

Base Information

• Chemical Name: Methanaminium, N-(1-chloroethylidene)-N-methyl-, chloride
• CAS No.: 58569-87-2
• Molecular Formula: C4H9Cl2N
• Molecular Weight: 142.028
• Hs Code.: 2923900090
• DSSTox Substance ID: DTXSID50886270
• Mol file: 58569-87-2.mol

Synonyms:N,N-Dimethyl-1-chloroethyliminium chloride;58569-87-2;Methanaminium, N-(1-chloroethylidene)-N-methyl-, chloride;Methanaminium, N-(1-chloroethylidene)-N-methyl-, chloride (1:1);C4H9ClN.Cl;C4-H9-Cl-N.Cl;SCHEMBL4508368;DTXSID50886270;(1-chloro-ethylidene)-dimethylammonium chloride

Chemical Property of Methanaminium, N-(1-chloroethylidene)-N-methyl-, chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 3.24000
• Density: g/cm³
• LogP: -2.74890
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 141.0112047
• Heavy Atom Count: 7
• Complexity: 71.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=[N+](C)C)Cl.[Cl-]

Technology Process of Methanaminium, N-(1-chloroethylidene)-N-methyl-, chloride

There total 4 articles about Methanaminium, N-(1-chloroethylidene)-N-methyl-, 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: 66.0%

chloroform (67-66-3,8013-54-5) + N,N-dimethyl acetamide (127-19-5,116057-81-9) → N-(1-chloroethylidene)-N-methylmethanaminium chloride (58569-87-2)

Guidance literature:

chloroform; N,N-dimethyl acetamide; With oxygen; at 30 ℃; for 3h; Irradiation;

at 50 ℃; for 2h;

DOI:10.1021/acs.joc.1c00334

Reference yield:

N,N-dimethyl acetamide (127-19-5,116057-81-9) → N-(1-chloroethylidene)-N-methylmethanaminium chloride (58569-87-2)

Guidance literature:

With Stearoyl chloride;

DOI:10.1021/jm00227a017

Reference yield:

N,N-dimethylacetamide dimethyl acetal (18871-66-4) → N-(1-chloroethylidene)-N-methylmethanaminium chloride (58569-87-2)

Guidance literature:

With oxalyl dichloride; In dichloromethane; at 30 ℃; for 5h;

DOI:10.1002/ejoc.201402706

upstream raw materials:

phosgene

N,N-dimethyl acetamide

N,N-dimethylacetamide dimethyl acetal

chloroform

Downstream raw materials:

N-Cyclohexylbrenztraubensaeure-amid

N,N-dimethylaminoethane hydrochloride

N-methyl-2-acetylpyrrole

3-acetyl-1-methyl-1H-pyrrole

Refernces

• 1、 Wang, Jun-Wen,Ding, Ling-Yan,Wang, Bing-Qiang,He, Yao-Yun,Guo, Yue,Jia, Xue-Feng,Zheng, Wenjun. "1H-1,2,4-diazaphospholes: Synthesis, structural characterization, and DFT calculation". . p. 62 - 70. Retrieved 2014.
• 2、 Sitte, Nikolai A.,Bursch, Markus,Grimme, Stefan,Paradies, Jan. "Frustrated Lewis Pair Catalyzed Hydrogenation of Amides: Halides as Active Lewis Base in the Metal-Free Hydrogen Activation". supporting information. p. 159 - 162. Retrieved 2019/01/04.
• 3、 Okuda, Kensuke,Takarada, Shigeki,Hirota, Takashi,Sasaki, Kenji. "Polycyclic N-heterocyclic compounds. Part 86: Synthesis and evaluation of antiplatelet aggregation activity of 2,4-disubstituted 9-chloro-5,6-dihydropyrimido[5,4-d]benzazepine and related compounds". . p. 780 - 792. Retrieved 2015/05/13.