S-(4-Bromobutyl) thioacetate

Base Information

• Chemical Name: S-(4-Bromobutyl) thioacetate
• CAS No.: 14475-59-3
• Molecular Formula: C6H11BrOS
• Molecular Weight: 211.123
• European Community (EC) Number: 802-975-5
• DSSTox Substance ID: DTXSID70460495
• Nikkaji Number: J1.445.655D
• Wikidata: Q82284553
• Mol file: 14475-59-3.mol

Synonyms:14475-59-3;S-(4-Bromobutyl) ethanethioate;S-(4-Bromobutyl) thioacetate;Ethanethioic acid, S-(4-bromobutyl) ester;S-(4-Bromobutyl)ethanethioate;SCHEMBL10484076;DTXSID70460495;1-[(4-bromobutyl)sulfanyl]ethan-1-one;S-(4-Bromobutyl) thioacetate, contains copper as stabilizer, 96% (GC)

Chemical Property of S-(4-Bromobutyl) thioacetate

Chemical Property:

• Refractive Index: n20/D1.518
• PSA: 42.37000
• Density: 1.388 g/mL at 25 °C
• LogP: 2.44120
• Storage Temp.: ?20°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 209.97140
• Heavy Atom Count: 9
• Complexity: 85.1

Purity/Quality:

98% ^*data from raw suppliers

S-(4-Bromobutyl) thioacetate contains copper as stabilizer, 96% (GC) ^*data from reagent suppliers

Safty Information:

• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCCCCBr
• Uses: Used in the formation of Self-Assembled Monolayers on gold electrodes to modify its work function.

Technology Process of S-(4-Bromobutyl) thioacetate

There total 5 articles about S-(4-Bromobutyl) thioacetate 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: 68.0%

1,4-dibromo-butane (110-52-1) + potassium thioacetate (10387-40-3) → thioacetic acid S-(4-bromo-butyl)ester (14475-59-3)

Guidance literature:

In acetone; at 20 ℃; for 3h;

Reference yield: 43.0%

1,4-dibromo-butane (110-52-1) + tiolacetic acid (507-09-5) → thioacetic acid S-(4-bromo-butyl)ester (14475-59-3)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1080/00397911.2010.533803

Reference yield:

1-bromo-4-butene (5162-44-7) + tiolacetic acid (507-09-5) → thioacetic acid S-(4-bromo-butyl)ester (14475-59-3)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); at 40 ℃; for 1.33333h; Inert atmosphere;

DOI:10.1039/c8cc04474k

upstream raw materials:

thiophene

Acetyl bromide

1,4-dibromo-butane

tiolacetic acid

Downstream raw materials:

methyl 2-naphthyl ketone

acetophenone

E-1-(4-((5'-(6-oxo-5-thiaheptylsulfanyl)-2,2'-bithiophene-5-sulfanyl)methyl)phenyl)-2-p-tolyldiazene

ethyl 6-(acetylthio)-2-((diphenylmethylene)amino)hexanoate

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