Hex-5-en-1-yl 4-methylbenzene-1-sulfonate

Base Information

• Chemical Name: Hex-5-en-1-yl 4-methylbenzene-1-sulfonate
• CAS No.: 18922-06-0
• Molecular Formula: C13H18O3S
• Molecular Weight: 254.35
• DSSTox Substance ID: DTXSID201264780
• Nikkaji Number: J1.019.098C
• Mol file: 18922-06-0.mol

Synonyms:18922-06-0;5-hexen-1-ol tosylate;hex-5-en-1-yl 4-methylbenzene-1-sulfonate;hex-5-en-1-ol tosylate;SCHEMBL11745256;QWGZFDYGOKJQAE-UHFFFAOYSA-N;DTXSID201264780;hex-5-enyl 4-methylbenzenesulfonate;p-Toluenesulfonic acid 5-hexenyl ester;5-Hexen-1-ol, 1-(4-methylbenzenesulfonate);EN300-33215500

Chemical Property of Hex-5-en-1-yl 4-methylbenzene-1-sulfonate

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 254.09766561
• Heavy Atom Count: 17
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCCC=C

Technology Process of Hex-5-en-1-yl 4-methylbenzene-1-sulfonate

There total 4 articles about Hex-5-en-1-yl 4-methylbenzene-1-sulfonate 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: 100.0%

5-Hexen-1-ol (821-41-0) + p-toluenesulfonyl chloride (98-59-9) → hex-5-enyl 4-methylbenzenesulfonate (18922-06-0)

Guidance literature:

With pyridine; at 0 - 5 ℃; for 3h;

DOI:10.1002/ejoc.200400830

Reference yield: 57.0%

5-hexyl-1-ol (928-90-5) + p-toluenesulfonyl chloride (98-59-9) → hex-5-enyl 4-methylbenzenesulfonate (18922-06-0)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/acs.orglett.1c00669

Reference yield:

C18H27BO5S (1144522-01-9) → hex-5-enyl 4-methylbenzenesulfonate (18922-06-0)

Guidance literature:

C₁₈H₂₇BO₅S; With n-butylzinc chloride; In tetrahydrofuran; at -78 - 20 ℃;

With dihydrogen peroxide; In tetrahydrofuran; water; at 0 ℃;

DOI:10.3987/COM-08-S(F)69

upstream raw materials:

5-Hexen-1-ol

p-toluenesulfonyl chloride

C₁₈H₂₇BO₅S

5-hexyl-1-ol

Downstream raw materials:

ethyl 6-heptenoate

6-chlorohexene

6-tosyloxyhexane-1,2-diol

4-(oxiran-2-yl)butyl 4-methylbenzenesulfonate