S-BUTYL THIOBENZOATE

Base Information

• Chemical Name: S-BUTYL THIOBENZOATE
• CAS No.: 7269-35-4
• Molecular Formula: C11H14OS
• Molecular Weight: 194.298
• Hs Code.: 2930909899
• DSSTox Substance ID: DTXSID90494974
• Nikkaji Number: J208.078H
• Wikidata: Q82342773
• Mol file: 7269-35-4.mol

Synonyms:S-BUTYL THIOBENZOATE;N-BUTYL THIOBENZOATE;THIOBENZOIC ACID S-BUTYL ESTER;THIOBENZOIC ACID S-N-BUTYL ESTER;BUTYL THIOBENZOATE;Thiobenzoicacidbutylester

Chemical Property of S-BUTYL THIOBENZOATE

Chemical Property:

• Melting Point: 119 °C
• Refractive Index: 1.5520-1.5550
• Boiling Point: 160 °C / 23mmHg
• Flash Point: 108.186oC
• PSA: 42.37000
• Density: 1,05 g/cm3
• LogP: 3.36010
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 194.07653624
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

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

S-Butyl Thiobenzoate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSC(=O)C1=CC=CC=C1

Technology Process of S-BUTYL THIOBENZOATE

There total 37 articles about S-BUTYL THIOBENZOATE 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: 97.0%

n-butanethiol (109-79-5) + benzoyl chloride (98-88-4) → S-(n-butyl) benzothioate (7269-35-4)

Guidance literature:

With 1-pentyl-3-methylimidazolium bromide; at 25 - 30 ℃; for 0.25h;

DOI:10.1002/adsc.200505122

Reference yield: 97.0%

thiobenzoic acid potassium salt (28170-13-0) + 1-(n-butyl)-2,4,6-triphenylpyridinium tetrafluoroborate (66310-04-1) → S-(n-butyl) benzothioate (7269-35-4)

Guidance literature:

With 2,4,6-triphenylpyridine; at 160 ℃; for 1h; under 1 Torr;

Reference yield: 95.0%

n-butanethiol (109-79-5) + benzoic acid (65-85-0,8013-63-6) → S-(n-butyl) benzothioate (7269-35-4)

Guidance literature:

With dmap; picryl fluoride; In acetonitrile; for 4h; Ambient temperature;

DOI:10.1246/cl.1981.133

upstream raw materials:

butane-1-sulfonic acid

benzoic acid

dithiophosphorous acid S,S'-dibutyl ester O-ethyl ester

benzoyl chloride

Downstream raw materials:

benzoyl fluoride

(E)-3-butylthio-1-phenyl-2-undecen-1-one

(Z)-3-butylthio-1-phenyl-2-undecen-1-one

butyl phenyl disulfide

Refernces

• 1、 Dall'Oglio, Evandro L.,Stein, André L.,Vasconcelos, Leonardo G.,Vieira, Lucas C. C.,de Oliveira, Angélica J.,de Oliveira, Sandynara A.. "Synthesis of selenol esters via the reaction of acyl chlorides with diselenides in the presence of Zn dust catalyzed by CoCl2·6H2O". supporting information. . Retrieved 2021/08/25.
• 2、 -. "Preparation method of thioester compounds". Paragraph 0036-0047; 0060-0061. . Retrieved 2021/01/29.