Pentane-1-sulfonamide

Base Information

• Chemical Name: Pentane-1-sulfonamide
• CAS No.: 52960-14-2
• Molecular Formula: C5H13NO2S
• Molecular Weight: 151.23
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID20448304
• Mol file: 52960-14-2.mol

Synonyms:Pentane-1-sulfonamide;52960-14-2;1-pentanesulfonamide;N-Pentylsulfonamide;pentanesulfonamide;n-pentanesulfonamide;1-n-pentanesulfonamide;SCHEMBL30578;DTXSID20448304;ICFQGMYPBURXAZ-UHFFFAOYSA-N;AMY35753;CCA96014;MFCD09800672;AKOS010295431;FS-6612;SB40913;CS-0048760;FT-0718773;EN300-74910;P18656;A1-62453;Z734461490

Chemical Property of Pentane-1-sulfonamide

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 256.291 °C at 760 mmHg
• Flash Point: 108.801 °C
• PSA: 68.54000
• Density: 1.114 g/cm³
• LogP: 2.24620
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 151.06669983
• Heavy Atom Count: 9
• Complexity: 145

Purity/Quality:

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

pentane-1-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCS(=O)(=O)N

Technology Process of Pentane-1-sulfonamide

There total 4 articles about Pentane-1-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: 63.0%

1-Bromopentane (110-53-2) → 1-pentylsulfonamide (52960-14-2)

Guidance literature:

1-Bromopentane; With sodium sulfite; In water; Heating;

With trichlorophosphate; at 130 ℃; for 4h;

With ammonia; In water; acetonitrile; at 0 ℃; for 1h;

DOI:10.1002/hlca.200490148

Reference yield:

n-pentanesulphonyl chloride (6303-18-0) → 1-pentylsulfonamide (52960-14-2)

Guidance literature:

With ammonium hydroxide;

Reference yield:

1-pentanesulfonic acid (35452-30-3) → 1-pentylsulfonamide (52960-14-2)

Guidance literature:

Multi-step reaction with 2 steps

1: SO₂Cl₂ / dimethylformamide / 3 h / 100 - 105 °C

2: NH₃ / H₂O

With sulfuryl dichloride; ammonia; In water; N,N-dimethyl-formamide;

DOI:10.1007/BF00954818

upstream raw materials:

n-pentanesulphonyl chloride

1-Bromopentane

1-pentanesulfonic acid

Downstream raw materials:

(pentane-1-sulfonyl)-carbamic acid ethyl ester

(pentane-1-sulfonyl)-carbamic acid butyl ester

(pentane-1-sulfonyl)-carbamic acid isobutyl ester

N-(Trimethylsilyl)-pentan-1-sulfonamid

Refernces

• 1、 -. "Benzimidazole derivatives". . . Retrieved 2008/06/13.