1-Pentanesulfonyl chloride

Base Information

• Chemical Name: 1-Pentanesulfonyl chloride
• CAS No.: 6303-18-0
• Molecular Formula: C5H11 Cl O2 S
• Molecular Weight: 170.66
• Hs Code.: 2904909090
• European Community (EC) Number: 634-703-4
• NSC Number: 41209
• UNII: 4LTF7CPF6Q
• DSSTox Substance ID: DTXSID40285258
• Nikkaji Number: J191.415D
• Wikidata: Q72499984
• Mol file: 6303-18-0.mol

Synonyms:pentane-1-sulfonyl chloride;1-Pentanesulfonyl chloride;6303-18-0;n-Pentyl sulfonyl chloride;NSC-41209;pentylsulfonyl chloride;pentanesulfonyl chloride;n-pentylsulfonyl chloride;Pentane sulfonyl chloride;1-Pentylsulfonyl chloride;pentane-1-sulfonylchloride;4LTF7CPF6Q;SCHEMBL9317;DTXSID40285258;PWQOZRPSDQKNPW-UHFFFAOYSA-N;NSC41209;AKOS010079449;FS-5595;n-pentyl sulfonyl chloride, AldrichCPR;EN300-73146

Chemical Property of 1-Pentanesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.154mmHg at 25°C
• Boiling Point: 222℃
• Flash Point: 88℃
• PSA: 42.52000
• Density: 1.189
• LogP: 2.82600
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 170.0168285
• Heavy Atom Count: 9
• Complexity: 145

Purity/Quality:

98%min ^*data from raw suppliers

pentane-1-sulfonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCS(=O)(=O)Cl

Technology Process of 1-Pentanesulfonyl chloride

There total 12 articles about 1-Pentanesulfonyl 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: 99.0%

1-Bromopentane (110-53-2) + thiourea (17356-08-0) → n-pentanesulphonyl chloride (6303-18-0)

Guidance literature:

1-Bromopentane; thiourea; In ethanol; for 1h; Reflux;

With hydrogenchloride; N-chloro-succinimide; water; In acetonitrile; at 10 - 20 ℃; for 0.25h;

DOI:10.1016/j.ejmech.2020.112963

Reference yield: 70.0%

sodium pentane-1-sulfonate (22767-49-3) → n-pentanesulphonyl chloride (6303-18-0)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; 18-crown-6 ether; In acetone; for 20h; Heating;

DOI:10.1016/S0040-4039(02)02853-8

Reference yield: 61.0%

→ n-pentanesulphonyl chloride (6303-18-0)

Guidance literature:

upstream raw materials:

diamyl disulfide

n-pentanethiol

n-pentyl thiocyanate

1-pentanesulfonic acid

Downstream raw materials:

Pentansulfonsaeure-diethylamid

sodium pentane-1-sulfonate

methyl 4-(n-pentylsulfonamidomethyl)benzoate

methyl 3-(n-pentylsulfonamidomethyl)benzoate

Refernces

• 1、 Kl?vekorn, Philip,Pfaffenrot, Bent,Juchum, Michael,Selig, Roland,Albrecht, Wolfgang,Zender, Lars,Laufer, Stefan A.. "From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4)". supporting information. . Retrieved 2020/11/20.
• 2、 Blotny, Grzegorz. "A new, mild preparation of sulfonyl chlorides". . p. 1499 - 1501. Retrieved 2007/10/03.