3-(Methylsulfonylamino)benzylamine hydrochloride

Base Information

• Chemical Name: 3-(Methylsulfonylamino)benzylamine hydrochloride
• CAS No.: 238428-26-7
• Molecular Formula: C8H12N2O2S.ClH
• Molecular Weight: 236.722
• Hs Code.: 2935009090
• European Community (EC) Number: 965-999-6
• DSSTox Substance ID: DTXSID80589646
• Mol file: 238428-26-7.mol

Synonyms:238428-26-7;3-(METHYLSULFONYLAMINO)BENZYLAMINE HYDROCHLORIDE;N-[3-(aminomethyl)phenyl]methanesulfonamide hydrochloride;N-(3-(Aminomethyl)phenyl)methanesulfonamide hydrochloride;N-[3-(aminomethyl)phenyl]methanesulfonamide;hydrochloride;3-(METHYLSULFONYLAMINO)BENZYLAMINE HCL;MFCD09054706;3-(Methylsulfonylamino)benzylamine, HCl;Methanesulfonamide, N-[3-(aminomethyl)phenyl]-, monohydrochloride;SCHEMBL2554758;N-[3-(Aminomethyl)phenyl]methanesulfonamidehydrochloride;DTXSID80589646;QRQYQHPUXNPLOG-UHFFFAOYSA-N;AKOS008091051;AS-31535;SY004027;DB-014201;CS-0257007;EN300-26801;A878124;Z234815910;N-[3-(aminomethyl) phenyl]methanesulfonamide hydrochloride;N-[3-(Aminomethyl)phenyl]methanesulfonamide--hydrogen chloride (1/1)

Chemical Property of 3-(Methylsulfonylamino)benzylamine hydrochloride

Chemical Property:

• Vapor Pressure: 3.56E-06mmHg at 25°C
• Boiling Point: 380.9°C at 760 mmHg
• Flash Point: 184.2°C
• PSA: 80.57000
• LogP: 3.17290
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 236.0386265
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

98%min ^*data from raw suppliers

3-(Methylsulfonylamino)benzylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=CC(=C1)CN.Cl

Technology Process of 3-(Methylsulfonylamino)benzylamine hydrochloride

There total 4 articles about 3-(Methylsulfonylamino)benzylamine 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: 100.0%

N-(tert-butyloxycarbonyl)-3-methylsulfonamidobenzylamine (238427-66-2) → N-(3-(aminomethyl)phenyl)methanesulfonamide hydrochloride (238428-26-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 1h;

Reference yield:

3-nitrobenzylamine hydrochloride (26177-43-5) → N-(3-(aminomethyl)phenyl)methanesulfonamide hydrochloride (238428-26-7)

Guidance literature:

Multi-step reaction with 4 steps

1: N-ethyl-N,N-diisopropylamine / 1,2-dichloro-ethane / 0 - 20 °C / Inert atmosphere

2: hydrogen / palladium on activated charcoal / ethanol; water / Inert atmosphere

3: pyridine / 1,2-dichloro-ethane / 48 h / 20 °C

4: hydrogenchloride / 1,4-dioxane / 48 h

With pyridine; hydrogenchloride; hydrogen; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In 1,4-dioxane; ethanol; water; 1,2-dichloro-ethane;

Reference yield:

N-(3-nitrophenylmethyl)carbamic acid t-butyl ester (147291-65-4) → N-(3-(aminomethyl)phenyl)methanesulfonamide hydrochloride (238428-26-7)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogen / palladium on activated charcoal / ethanol; water / Inert atmosphere

2: pyridine / 1,2-dichloro-ethane / 48 h / 20 °C

3: hydrogenchloride / 1,4-dioxane / 48 h

With pyridine; hydrogenchloride; hydrogen; palladium on activated charcoal; In 1,4-dioxane; ethanol; water; 1,2-dichloro-ethane;

upstream raw materials:

N-(tert-butyloxycarbonyl)-3-methylsulfonamidobenzylamine

3-nitrobenzylamine hydrochloride

N-(3-nitrophenylmethyl)carbamic acid t-butyl ester

3-tert-butoxycarbonylaminomethylaniline

Downstream raw materials:

N-(3-((3-(4-(pyridin-4-yl)thiazol-2-yl)ureido)methyl)phenyl)methanesulfonamide hydrochloride

Refernces

• 1、 -. "Multicyclic bis-amide MMP inhibitors". Page/Page column 84. . Retrieved 2008/06/13.