(S)-2-Hydroxybutyl tosylate

Base Information

• Chemical Name: (S)-2-Hydroxybutyl tosylate
• CAS No.: 143731-32-2
• Molecular Formula: C₁₁H₁₆O₄S
• Molecular Weight: 244.312
• Hs Code.: 29095000
• DSSTox Substance ID: DTXSID70427109
• Wikidata: Q82239843
• Mol file: 143731-32-2.mol

Synonyms:143731-32-2;(S)-2-HYDROXYBUTYL P-TOSYLATE;(S)-2-HYDROXYBUTYL TOSYLATE;[(2S)-2-hydroxybutyl] 4-methylbenzenesulfonate;(2S)-1-[(4-methylbenzenesulfonyl)oxy]butan-2-ol;ST50825910;SCHEMBL5471045;DTXSID70427109;UVSOURZMHXZMJW-JTQLQIEISA-N;(S)-2-hydroxybutyl p-toluenesulfonate;(S)-2-Hydroxybutyl 4-methylbenzenesulfonate

Chemical Property of (S)-2-Hydroxybutyl tosylate

Chemical Property:

• Vapor Pressure: 8.3E-07mmHg at 25°C
• Refractive Index: 1.5165-1.5185
• Boiling Point: 390.8°Cat760mmHg
• PKA: 13.83±0.20(Predicted)
• Flash Point: 190.1°C
• PSA: 71.98000
• Density: 1.213g/cm³
• LogP: 2.55200
• Storage Temp.: 0-6°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 244.07693016
• Heavy Atom Count: 16
• Complexity: 286

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-2-HYDROXYBUTYL PARA-TOSYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(COS(=O)(=O)C1=CC=C(C=C1)C)O
• Isomeric SMILES: CC[C@@H](COS(=O)(=O)C1=CC=C(C=C1)C)O

Technology Process of (S)-2-Hydroxybutyl tosylate

There total 4 articles about (S)-2-Hydroxybutyl tosylate 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: 43.0%

(2S)-1,2-butanediol (73522-17-5) + p-toluenesulfonyl chloride (98-59-9) → (S)-(-)-2-hydroxybutyl tosylate (143731-32-2)

Guidance literature:

With pyridine; In dichloromethane; for 12h; Ambient temperature;

DOI:10.1246/bcsj.65.631

Reference yield:

(S)-2-acetoxybutyl p-toluenesulfonate → (S)-(-)-2-hydroxybutyl tosylate (143731-32-2)

Guidance literature:

In methanol; for 4h; Heating;

Reference yield:

(S)-2-butanoyloxybutyl p-toluenesulfonate → (S)-(-)-2-hydroxybutyl tosylate (143731-32-2)

Guidance literature:

In methanol; for 4h; Heating;

upstream raw materials:

(2S)-1,2-butanediol

p-toluenesulfonyl chloride

(R/S)-1,2-Butandiol-1-<(4-methylbenzol)sulfonat>

Refernces

• 1、 Sakai, Takashi,Wada, Kou,Murakami, Takahiko,Kohra, Kiichiro,Imajo, Norihisa,et al.. "A Systematic Study on the Bakers'Yeast Reduction of 2-Oxoalkyl Benzoates and 1-Chloro-2-alkanones". . p. 631 - 638. Retrieved 2007/10/02.