Propane-2-sulfonamide

Base Information

• Chemical Name: Propane-2-sulfonamide
• CAS No.: 81363-76-0
• Molecular Formula: C3H9NO2S
• Molecular Weight: 123.176
• Hs Code.: 2935009090
• European Community (EC) Number: 816-007-4
• DSSTox Substance ID: DTXSID80393543
• Nikkaji Number: J947.020D
• Wikidata: Q72486312
• Mol file: 81363-76-0.mol

Synonyms:Propane-2-sulfonamide;81363-76-0;Isopropylsulfonamide;Isopropyl sulphonamide;2-propanesulfonamide;Isopropylsulphonamide;2-sulfamylpropane;1-methylethylsulfonamide;MFCD03550610;isopropyl sulfonamide;SCHEMBL43258;propane-2-sulfonic acid amide;dimethylmethanesulfonic acid amide;DTXSID80393543;SJMCLWCCNYAWRQ-UHFFFAOYSA-N;BCP25691;AKOS005137911;CS-W005008;SB75616;BS-12733;FT-0651799;EN300-57289;A840110;J-521568;Z599618876

Chemical Property of Propane-2-sulfonamide

Chemical Property:

• Vapor Pressure: 0.14mmHg at 25°C
• Melting Point: 61-65 °C(Solv: chloroform (67-66-3); carbon tetrachloride (56-23-5))
• Refractive Index: 1.461
• Boiling Point: 216.5 °C at 760 mmHg
• PKA: 10.69±0.60(Predicted)
• Flash Point: 84.7 °C
• PSA: 68.54000
• Density: 1.194 g/cm³
• LogP: 1.46440
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 123.03539970
• Heavy Atom Count: 7
• Complexity: 130

Purity/Quality:

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

Propane-2-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)S(=O)(=O)N

Technology Process of Propane-2-sulfonamide

There total 11 articles about Propane-2-sulfonamide 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: 96.0%

N-(tert-butoxycarbonyl) isopropylsulfonamide (256532-43-1) → propane-2-sulfonamide (81363-76-0)

Guidance literature:

With trifluoroacetic acid; In water; at 0 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2004.09.118

Reference yield: 87.0%

Isopropylsulfonyl chloride (10147-37-2) + ammonia (7664-41-7) → propane-2-sulfonamide (81363-76-0)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; for 48.5h;

Reference yield: 81.0%

Isopropylsulfonyl chloride (10147-37-2) → propane-2-sulfonamide (81363-76-0)

Guidance literature:

With ammonia;

upstream raw materials:

Isopropylsulfonyl chloride

N-benzyl-propane-2-sulfonamide

N-(tert-butoxycarbonyl) isopropylsulfonamide

ethylidene isopropylamine

Downstream raw materials:

1-(Isopropylsulfonylaminocarbonyl)-3-nitro-benzene

C₂₄H₂₄ClF₃N₆O₄S

C₁₀H₁₃NO₃S

Refernces

• 1、 Davies, Thomas Q.,Hall, Adrian,Skolc, David,Tilby, Michael J.,Willis, Michael C.. "Primary Sulfonamide Synthesis Using the Sulfinylamine Reagent N-Sulfinyl- O-(tert-butyl)hydroxylamine, t-BuONSO". supporting information. p. 9495 - 9499. Retrieved 2020/12/21.
• 2、 -. "CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS". Page/Page column 111. . Retrieved 2009/06/27.