Isopropylsulfamoyl chloride

Base Information

• Chemical Name: Isopropylsulfamoyl chloride
• CAS No.: 26118-67-2
• Molecular Formula: C3H8 Cl N O2 S
• Molecular Weight: 157.621
• Hs Code.: 2935009090
• European Community (EC) Number: 247-472-6
• UNII: CN52HES8UV
• DSSTox Substance ID: DTXSID5067180
• Nikkaji Number: J308.391H
• Mol file: 26118-67-2.mol

Synonyms:Isopropylsulfamoyl chloride;26118-67-2;N-propan-2-ylsulfamoyl chloride;Isopropylsulphamoyl chloride;Sulfamoyl chloride, (1-methylethyl)-;N-isopropylsulfamoyl chloride;Sulfamoyl chloride, N-(1-methylethyl)-;MFCD09753748;CN52HES8UV;Isopropylaminosulfonic Acid;(1-Methylethyl)sulfamoyl chloride;N-(propan-2-yl)sulfamoyl chloride;EINECS 247-472-6;IsopropylsulfamoylChloride;UNII-CN52HES8UV;isopropyl sulfamoyl chloride;isopropylaminosulfonyl chloride;isopropylsulfamic acid chloride;SCHEMBL4658343;DTXSID5067180;BBA11867;AKOS006328163;Isopropylsulfamoyl chloride, AldrichCPR;AS-31326;SY018712;N-(1-METHYLETHYL)SULFAMOYL CHLORIDE;FT-0682793;EN300-128272;A818183

Chemical Property of Isopropylsulfamoyl chloride

Chemical Property:

• Vapor Pressure: 0.18mmHg at 25°C
• Boiling Point: 211.7°Cat760mmHg
• PKA: 7.53±0.40(Predicted)
• Flash Point: 81.8°C
• PSA: 54.55000
• Density: 1.317g/cm³
• LogP: 1.93970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.9964274
• Heavy Atom Count: 8
• Complexity: 145

Purity/Quality:

98%,99%, ^*data from raw suppliers

IsopropylaminosulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NS(=O)(=O)Cl
• Uses: Isopropylaminosulfonic Acid is an reactant used in the synthesis of N-Alkylsulfamic Acid Derivatives.

Technology Process of Isopropylsulfamoyl chloride

There total 13 articles about Isopropylsulfamoyl 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: 76.0%

propane-2-sulfonamide (81363-76-0) → isopropylsulfamoyl chloride (26118-67-2)

Guidance literature:

With chlorine; In 1,2-dichloro-ethane;

Reference yield: 47.0%

antimony (V) pentachloride + isopropylamine hydrochloride (15572-56-2) → isopropylsulfamoyl chloride (26118-67-2)

Guidance literature:

With sulfuryl dichloride; In acetonitrile;

Reference yield: 47.0%

antimony (V) pentachloride + 5-phenylpentan-1-ol (10521-91-2) + isopropylamine hydrochloride (15572-56-2) → isopropylsulfamoyl chloride (26118-67-2)

Guidance literature:

With sulfuryl dichloride; In acetonitrile;

upstream raw materials:

(1-Methylethyl)sulfamic Acid

isopropylamine hydrochloride

isopropylamine

Isopropyl isocyanate

Downstream raw materials:

N-Isopropyl-amidosulfonsaeure-(2-methoxy-phenylester)

(R,S)-N-(Methoxycarbonyl-phenyl)methyl-N'-isopropyl-schwefelsaeurediamid

C₁₉H₂₄N₄O₄S

C₁₅H₁₈N₂O₄S₂

Refernces

• 1、 -. "Piperidyindoles as serotonin receptor ligands". Page column. . Retrieved 2010/02/05.
• 2、 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.