2-(Methylsulfonyl)benzylamine

Base Information

• Chemical Name: 2-(Methylsulfonyl)benzylamine
• CAS No.: 410545-65-2
• Molecular Formula: C8H11NO2S
• Molecular Weight: 185.247
• Hs Code.: 2921499090
• European Community (EC) Number: 873-979-2
• ChEMBL ID: CHEMBL4537613
• DSSTox Substance ID: DTXSID50584885
• Wikidata: Q82476630
• Mol file: 410545-65-2.mol

Synonyms:2-(METHYLSULFONYL)BENZYLAMINE;410545-65-2;(2-(METHYLSULFONYL)PHENYL)METHANAMINE;(2-methylsulfonylphenyl)methanamine;2-methanesulfonyl-benzylamine;MFCD08234913;(2-METHANESULFONYLPHENYL)METHANAMINE;1-(2-METHANESULFONYLPHENYL)METHANAMINE;Benzenemethanamine, 2-(methylsulfonyl)-;SCHEMBL1146006;CHEMBL4537613;DTXSID50584885;NKOMETMTMXTMLP-UHFFFAOYSA-N;AMY20129;AKOS006238358;AB43695;1-[2-(methylsulfonyl)phenyl]methanamine;1-[2-(Methanesulfonyl)phenyl]methanamine;AS-31274;SY003362;CS-0136616;EN300-253561;A873154;P6H

Chemical Property of 2-(Methylsulfonyl)benzylamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 384.861oC at 760 mmHg
• Flash Point: 186.557oC
• PSA: 68.54000
• Density: 1.225g/cm3
• LogP: 2.32990
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.05104977
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

98%min ^*data from raw suppliers

2-(Methylsulfonyl)benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=CC=C1CN

Technology Process of 2-(Methylsulfonyl)benzylamine

There total 1 articles about 2-(Methylsulfonyl)benzylamine 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:

2-(methylsulfonyl)benzonitrile (89942-56-3) → (2-(methylsulfonyl)phenyl)methanamine (410545-65-2)

Guidance literature:

With ammonia; In methanol;

Reference yield: 72.0%

(2-(methylsulfonyl)phenyl)methanamine (410545-65-2) + ethyl 2,4-dichloropyrimidine-5-carboxylate (51940-64-8) → ethyl 2-chloro-4-{[2-(methylsulfonyl)benzyl]amino}pyrimidine-5-carboxylate (1042921-27-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at -70 ℃;

DOI:10.1016/j.bmc.2008.05.031

Reference yield: 33.9%

2,4-dichlorothieno[3,2-d]pyrimidine (16234-14-3) + (2-(methylsulfonyl)phenyl)methanamine (410545-65-2) → C14H12ClN3O2S2

Guidance literature:

(2-(methylsulfonyl)phenyl)methanamine; With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

2,4-dichlorothieno[3,2-d]pyrimidine; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

2-(methylsulfonyl)benzonitrile

Downstream raw materials:

5-bromo-8-hydroxy-N-[2-(methylsulfonyl)benzyl]-1,6-naphthyridine-7-carboxamide

ethyl 2-chloro-4-{[2-(methylsulfonyl)benzyl]amino}pyrimidine-5-carboxylate

C₁₅H₁₃Cl₂N₅O₂S

8-(4-chlorophenyl)-N-(2-(methylsulfonyl)benzyl)-1,6-naphthyridine-2-carboxamide

Refernces