Benzenemethanamine, 2-chloro-N-methyl-

Base Information

• Chemical Name: Benzenemethanamine, 2-chloro-N-methyl-
• CAS No.: 94-64-4
• Molecular Formula: C8H10ClN
• Molecular Weight: 155.627
• Hs Code.: 2921499090
• European Community (EC) Number: 202-350-1
• DSSTox Substance ID: DTXSID6059106
• Nikkaji Number: J182.105I
• Wikidata: Q72453804
• ChEMBL ID: CHEMBL1178182
• Mol file: 94-64-4.mol

Synonyms:94-64-4;N-(2-chlorobenzyl)-N-methylamine;2-Chloro-N-methylbenzylamine;Benzenemethanamine, 2-chloro-N-methyl-;(2-chlorophenyl)-N-methylmethanamine;(2-Chloro-benzyl)-methyl-amine;1-(2-chlorophenyl)-N-methylmethanamine;O-CHLORO-N-METHYLBENZYLAMINE;2-Chlorobenzylmethylamine;EINECS 202-350-1;MFCD00013627;[(2-chlorophenyl)methyl](methyl)amine;N-Methyl-2-chlorobenzylamine;2-chlorbenzylmethylamin;1-(2-chlorophenyl)-N-methyl-methanamine;2-chlorobenzyl-N-methylamine;2-chloro-N-methylbenzyl amine;SCHEMBL296089;CHEMBL1178182;DTXSID6059106;2-Chloro-N-methylbenzenemethanamine;2-Chloro-N-methylbenzylamine, 97%;AKOS000263898;NCGC00374049-01;AM101671;AS-31408;BP-10621;SY023323;BB 0218341;CS-0151001;FT-0629116;EN300-07493;Z56955956

Chemical Property of Benzenemethanamine, 2-chloro-N-methyl-

Chemical Property:

• Appearance/Colour: pale yellow oil.
• Vapor Pressure: 0.232mmHg at 25°C
• Melting Point: 0°C
• Refractive Index: n20/D 1.5430(lit.)
• Boiling Point: 206.914 °C at 760 mmHg
• PKA: 9.01±0.10(Predicted)
• Flash Point: 78.939 °C
• PSA: 12.03000
• Density: 1.088 g/cm³
• LogP: 2.45030
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 155.0501770
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-N-methylbenzylamine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNCC1=CC=CC=C1Cl
• Uses: 2-Chloro-N-methylbenzylamine (N-(2-chlorobenzyl)-N-methylamine) may be used in chemical synthesis studies.

Technology Process of Benzenemethanamine, 2-chloro-N-methyl-

There total 9 articles about Benzenemethanamine, 2-chloro-N-methyl- 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: 100.0%

N-(2-chlorophenylmethylene)methanamine (17972-08-6) → N-methyl-N-(2-chlorobenzyl)amine (94-64-4)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 20h;

DOI:10.1016/j.bmc.2006.09.026

Reference yield: 100.0%

methyl N-(2-chlorobenzyl)carbamate (475201-00-4) → N-methyl-N-(2-chlorobenzyl)amine (94-64-4)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/ol991123v

Reference yield:

2-chloro-benzaldehyde (89-98-5) + dimethyl amine (124-40-3) → N-methyl-N-(2-chlorobenzyl)amine (94-64-4)

Guidance literature:

With 5% active carbon-supported ruthenium; In water; at 99.84 ℃; for 2h; under 3750.38 Torr; Inert atmosphere;

DOI:10.1002/cctc.202100334

upstream raw materials:

1-bromomethyl-2-chlorobenzene

methylamine

N-(2-chlorophenylmethylene)methanamine

methylamine hydrochloride

Downstream raw materials:

(2-chloro-benzyl)-methyl-(4-nitro-benzyl)-amine

(2-bromo-benzyl)-(2-chloro-benzyl)-methyl-amine

3-[(2-Chloro-benzyl)-methyl-amino]-1-phenyl-propan-1-one

N-(2-chlorobenzyl)-N-methyl acetoacetamide

Refernces

• 1、 Ren, Yan,Su, Yaning,Sun, Liming,He, Sudan,Meng, Lingjun,Liao, Daohong,Liu, Xiao,Ma, Yongfen,Liu, Chunyan,Li, Sisi,Ruan, Hanying,Lei, Xiaoguang,Wang, Xiaodong,Zhang, Zhiyuan. "Discovery of a Highly Potent, Selective, and Metabolically Stable Inhibitor of Receptor-Interacting Protein 1 (RIP1) for the Treatment of Systemic Inflammatory Response Syndrome". . p. 972 - 986. Retrieved 2017/02/19.
• 2、 Piazzi, Lorna,Belluti, Federica,Bisi, Alessandra,Gobbi, Silvia,Rizzo, Stefano,Bartolini, Manuela,Andrisano, Vincenza,Recanatini, Maurizio,Rampa, Angela. "Cholinesterase inhibitors: SAR and enzyme inhibitory activity of 3-[ω-(benzylmethylamino)alkoxy]xanthen-9-ones". . p. 575 - 585. Retrieved 2008/03/12.