Benzyl(methyl)sulfamoyl chloride

Base Information

• Chemical Name: Benzyl(methyl)sulfamoyl chloride
• CAS No.: 36959-70-3
• Molecular Formula: C₈H₁₀ClNO₂S
• Molecular Weight: 219.692
• European Community (EC) Number: 861-362-0
• Mol file: 36959-70-3.mol

Synonyms:benzyl(methyl)sulfamoyl chloride;36959-70-3;N-benzyl-N-methylsulfamoyl chloride;Benzylmethylsulfamoyl chloride;benzyl(methyl)sulfamoylchloride;SCHEMBL6629548;MFCD08443200;AKOS000125877;BS-13769;benzyl(methyl)sulfamoyl chloride, AldrichCPR;CS-0245088;EN300-29904

Chemical Property of Benzyl(methyl)sulfamoyl chloride

Chemical Property:

• Boiling Point: 113-114 °C(Press: 0.6 Torr)
• PKA: -8.63±0.70(Predicted)
• Density: 1.356±0.06 g/cm3(Predicted)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.0120774
• Heavy Atom Count: 13
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Benzyl(methyl)sulfamoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(CC1=CC=CC=C1)S(=O)(=O)Cl

Technology Process of Benzyl(methyl)sulfamoyl chloride

There total 3 articles about Benzyl(methyl)sulfamoyl chloride 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:

benzyl-methyl-amine (103-67-3) → N-benzyl-N-methylsulfamoyl choride (36959-70-3)

Guidance literature:

Multistep reaction; (i) nBuLi, (ii) SO₂Cl₂;

Reference yield:

N-methylbenzylamine hydrochloride (13426-94-3) → N-benzyl-N-methylsulfamoyl choride (36959-70-3)

Guidance literature:

With sulfuryl dichloride; In acetonitrile;

DOI:10.1021/jm00275a025

Reference yield:

benzyl-methyl-sulfamic acid → N-benzyl-N-methylsulfamoyl choride (36959-70-3)

Guidance literature:

With phosphorus pentachloride; In benzene; for 24h; Heating;

DOI:10.1021/jm980348t

upstream raw materials:

N-methylbenzylamine hydrochloride

benzyl-methyl-amine

Downstream raw materials:

(((azidosulfonyl)(methyl)amino)methyl)benzene

Refernces

• 1、 Olson, Richard E.,Sielecki, Thais M.,Wityak, John,Pinto, Donald J.,Batt, Douglas G.,Frietze, William E.,Liu, Jie,Tobin, A. Ewa,Orwat, Michael J.,Di Meo, Susan V.,Houghton, Gregory C.,Lalka, George K.,Mousa, Shaker A.,Racanelli, Adrienne L.,Hausner, Elizabeth A.,Kapil, Ram P.,Rabel, Shelley R.,Thoolen, Martin J.,Reilly, Thomas M.,Anderson, Paul S.,Wexler, Ruth R.. "Orally active isoxazoline glycoprotein IIb/IIIa antagonists with extended duration of action". . p. 1178 - 1192. Retrieved 2007/10/03.