4-Methylsulfonylbenzylamine hydrochloride

Base Information

• Chemical Name: 4-Methylsulfonylbenzylamine hydrochloride
• CAS No.: 98593-51-2
• Molecular Formula: C8H11NO2S^.HCl
• Molecular Weight: 221.708
• Hs Code.: 2921499090
• European Community (EC) Number: 811-465-1
• UNII: 4LA59YMY4Z
• DSSTox Substance ID: DTXSID90913175
• Wikidata: Q27259989
• Mol file: 98593-51-2.mol

Synonyms:98593-51-2;4-methylsulfonylbenzylamine hydrochloride;4-Methanesulfonylbenzylamine hydrochloride;4-(Methylsulfonyl)benzylamine hydrochloride;(4-(methylsulfonyl)phenyl)methanamine hydrochloride;4-(methylsulphonyl)benzylamine hydrochloride;4-Methylsulfonylbenzylamine, HCl;4-(Methylsulphonyl)benzylamine HCl;(4-methanesulfonylphenyl)methanamine hydrochloride;Benzenemethanamine, 4-(methylsulfonyl)-, hydrochloride;MFCD00216491;(4-methylsulfonylphenyl)methanamine;hydrochloride;UNII-4LA59YMY4Z;4LA59YMY4Z;BENZYLAMINE, p-(METHYLSULFONYL)-, HYDROCHLORIDE;4-methylsulphonylbenzylamine hydrochloride;4-methanesulfonyl benzylamine hydrochloride;(4-(METHYLSULFONYL)PHENYL)METHANAMINE HCL;SCHEMBL353075;DTXSID90913175;NRXMOYDZMKXKMJ-UHFFFAOYSA-N;4-(Methylsulfonyl)benzylamine HCl;AMY33060;4-methanesulfonyl-benzylamine HCl salt;AKOS015849426;CS-W004015;PS-7842;BP-12664;SY003358;4-methanesulfonyl-benzylamine hydrochloride;4-methylsulphonylbenzyl amine hydrochloride;(4-methanesulfonyll)benzylamine hydrochloride;4-(methylsulfonyl) benzylamine hydrochloride;FT-0602190;4-METYLSULFONYLBENSYLAMIN HYDROCHLORIDE;EN300-39118;[4-(Methylsulfonyl)phenyl]methanaminium chloride;(4-(methylsulfonyl)phenyl)methanaminehydrochloride;4-methylsulfonylbenzylamine hydrochloride, AldrichCPR;{[4-(Methylsulfonyl)phenyl]methyl}amine hydrochloride;4-(METHYLSULFONYL)BENZYLAMINE MONOHYDROCHLORIDE;Q27259989;F0001-1200;Z382685326;1-[4-(Methanesulfonyl)phenyl]methanamine--hydrogen chloride (1/1);BENZENEMETHANAMINE, 4-(METHYLSULFONYL)-, HYDROCHLORIDE (1:1);4-(Methylsulfonyl)benzylamine Hydrochloride

Chemical Property of 4-Methylsulfonylbenzylamine hydrochloride

Chemical Property:

• Vapor Pressure: 1.15E-05mmHg at 25°C
• Melting Point: 272-274 °C
• Refractive Index: 1.553
• Boiling Point: 369.9 °C at 760 mmHg
• Flash Point: 177.5 °C
• PSA: 68.54000
• Density: 1.225g/cm3
• LogP: 3.13190
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 221.0277275
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Methylsulfonyl)benzylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)CN.Cl

Technology Process of 4-Methylsulfonylbenzylamine hydrochloride

There total 4 articles about 4-Methylsulfonylbenzylamine hydrochloride 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: 99.0%

4-(methylsulfonyl)benzyl azide → 4-(methylsulfonyl)benzylamine hydrochloride (98593-51-2)

Guidance literature:

4-(methylsulfonyl)benzyl azide; With 1,3-diphenyl-disiloxane; triphenylphosphine; at 20 ℃; for 24h;

With water;

With hydrogenchloride; In 1,4-dioxane; chemoselective reaction;

DOI:10.1021/acs.joc.9b00831

Reference yield: 84.0%

4-(methylsulfonyl)benzonitrile (22821-76-7) → 4-(methylsulfonyl)benzylamine hydrochloride (98593-51-2)

Guidance literature:

4-(methylsulfonyl)benzonitrile; With iododioxobis(triphenylphosphine)rhenium(V); phenylsilane; In toluene; for 5h; Reflux;

With hydrogenchloride; In diethyl ether; toluene; chemoselective reaction;

DOI:10.1016/j.tet.2011.08.015

Reference yield:

p-methylsulfonylbenzyl alcohol (22821-77-8) → 4-(methylsulfonyl)benzylamine hydrochloride (98593-51-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: triethylamine / dichloromethane / 5.5 h / -30 - 20 °C / Inert atmosphere

2.1: sodium azide / N,N-dimethyl-formamide / 20 h / 23 °C

3.1: triphenylphosphine / 20 h / 110 °C / Green chemistry

3.2: Green chemistry

With sodium azide; triethylamine; triphenylphosphine; In dichloromethane; N,N-dimethyl-formamide; 3.1: |Staudinger Azide Reduction;

DOI:10.1039/c8gc02136h

upstream raw materials:

4-(methylsulfonyl)benzonitrile

p-methylsulfonylbenzyl alcohol

Downstream raw materials:

6-ethyl-5-[4-(4-methanesulfonyl-benzylamino)-3-nitro-phenyl]-pyrimidine-2,4-diamine

5-[3-amino-4-(4-methanesulfonyl-benzylamino)phenyl]-6-ethyl-pyrimidine-2,4-diamine

6-(isopropyl)-N-[4-(methylsulfonyl)benzyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide

4-Amino-6-chloro-5-cyano-pyridine-2-carboxylic acid 4-methanesulfonyl-benzylamide

Refernces

• 1、 Lenstra, Danny C.,Lenting, Peter E.,Mecinovi?, Jasmin. "Sustainable organophosphorus-catalysed Staudinger reduction". supporting information. p. 4418 - 4422. Retrieved 2018/10/17.