Benzenemethanamine, 4-chloro-N-methyl-

Base Information

• Chemical Name: Benzenemethanamine, 4-chloro-N-methyl-
• CAS No.: 104-11-0
• Molecular Formula: C8H10ClN
• Molecular Weight: 155.627
• Hs Code.: 2921499090
• European Community (EC) Number: 203-175-3
• DSSTox Substance ID: DTXSID0059291
• Nikkaji Number: J182.177F
• Wikidata: Q72453801
• ChEMBL ID: CHEMBL1178166
• Mol file: 104-11-0.mol

Synonyms:104-11-0;1-(4-chlorophenyl)-N-methylmethanamine;N-Methyl-4-chlorobenzylamine;N-(4-chlorobenzyl)-N-methylamine;4-Chloro-N-methylbenzylamine;(4-Chloro-benzyl)-methyl-amine;Benzenemethanamine, 4-chloro-N-methyl-;[(4-chlorophenyl)methyl](methyl)amine;4-Chlorobenzylmethylamine;MFCD00018749;p-chloro-n-methylbenzylamine;(4-Chloro-benzyl)methylamine;EINECS 203-175-3;1-(4-chlorophenyl)-N-methyl-methanamine;4-chlorbenzylmethylamin;(4-chlorobenzyl)-methylamine;4-chloro-N-methyl-benzylamine;N-methyl-4-chloro-benzylamine;SCHEMBL296162;N-(4-chlorobenzyl)-methylamine;CHEMBL1178166;DTXSID0059291;CHEBI:194996;STK832105;AKOS000263993;CS-W002118;PS-3902;SB76480;AC-26481;SY002430;(4-chloro-benzyl)-methyl-amine, AldrichCPR;AM20061049;BB 0218138;C2885;FT-0629216;EN300-07492;A896283;Z56956070;(3-BOC-AMINO-PYRROLIDIN-1-YL)-(1H-INDOL-2-YL)-ACETICACID

Chemical Property of Benzenemethanamine, 4-chloro-N-methyl-

Chemical Property:

• Vapor Pressure: 0.232mmHg at 25°C
• Refractive Index: 1.5380 to 1.5420
• Boiling Point: 206.9 ºC at 760 mmHg
• PKA: 9.50±0.10(Predicted)
• Flash Point: 78.9 ºC
• PSA: 12.03000
• Density: 1.088 g/cm³
• LogP: 2.45030
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 155.0501770
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

98% ^*data from raw suppliers

4-Chloro-N-methylbenzylamine >97.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,C,Xi
• Hazard Codes: Xi,C,Xn
• Statements: 22-34-52-41-37/38
• Safety Statements: 23-26-36/37/39-45-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC=C(C=C1)Cl

Technology Process of Benzenemethanamine, 4-chloro-N-methyl-

There total 22 articles about Benzenemethanamine, 4-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-(4-chlorobenzylidene)methylamine (13114-22-2) → N-methyl-4-chlorobenzylamine (104-11-0)

Guidance literature:

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

DOI:10.1016/j.bmc.2006.09.026

Reference yield: 81.0%

1-Chloro-4-(chloromethyl)benzene (104-83-6) + methylamine (74-89-5) → N-methyl-4-chlorobenzylamine (104-11-0)

Guidance literature:

In tetrahydrofuran; water; at 0 - 20 ℃; Inert atmosphere;

Reference yield: 80.0%

methanol (67-56-1) + 4-chlorobenzyl azide (27032-10-6) → N,N-dimethyl-4-chlorobenzylamine (15184-98-2) + N-methyl-4-chlorobenzylamine (104-11-0)

Guidance literature:

With trans-RuCl(phenpyra-Me)(PPh₃)₂PF₆; sodium hydroxide; at 125 ℃; for 24h; Sealed tube; Inert atmosphere; Glovebox;

DOI:10.1039/c8gc00863a

upstream raw materials:

1-Chloro-4-(chloromethyl)benzene

methylamine

4-chlorobenzyl bromide

N-(4-chlorobenzylidene)methylamine

Downstream raw materials:

(4-bromo-benzyl)-(4-chloro-benzyl)-methyl-amine

(4-chloro-benzyl)-(4-fluoro-benzyl)-methyl-amine

N⁶-(4-Chloro-benzyl)-N⁶-methyl-pteridine-2,4,6-triamine

C₁₅H₁₃ClF₃NO₃S

Refernces

• 1、 Wang, Wei-Wei,Liu, Ting,Lv, Yu-Meng,Zhang, Wu-Yang,Liu, Zhi-Gang,Gao, Jin-Ming,Li, Ding. "Design, Synthesis, and Biological Evaluation of Novel 3-Aminomethylindole Derivatives as Potential Multifunctional Anti-Inflammatory and Neurotrophic Agents". . p. 1593 - 1605. Retrieved 2021/05/31.
• 2、 Chakrabarti, Kaushik,Mishra, Anju,Panja, Dibyajyoti,Paul, Bhaskar,Kundu, Sabuj. "Selective synthesis of mono- and di-methylated amines using methanol and sodium azide as C1 and N1 sources". . p. 3339 - 3345. Retrieved 2018/07/29.