1-(Benzylthio)acetone

Base Information

• Chemical Name: 1-(Benzylthio)acetone
• CAS No.: 10230-69-0
• Molecular Formula: C10H12OS
• Molecular Weight: 180.271
• European Community (EC) Number: 233-552-8
• DSSTox Substance ID: DTXSID50144887
• Nikkaji Number: J227.125G
• Wikidata: Q72443121
• Mol file: 10230-69-0.mol

Synonyms:1-(Benzylthio)acetone;10230-69-0;1-(Benzylthio)-2-propanone;(Benzylthio)acetone;1-benzylsulfanylpropan-2-one;2-Propanone, 1-[(phenylmethyl)thio]-;1-(benzylsulfanyl)propan-2-one;.alpha.-(Benzylthio)acetone;1-(benzylthio)propan-2-one;EINECS 233-552-8;2-Propanone, 1-((phenylmethyl)thio)-;benzylthio-2-propanone;(Benzylthio)acetone, 98%;1-(Benzylsulfanyl)acetone #;SCHEMBL941161;1-BENZYLTHIO-2-PROPANONE;DTXSID50144887;MFCD00026241;AKOS005207147;CS-0272169;FT-0604866;D85829;EN300-394836

Chemical Property of 1-(Benzylthio)acetone

Chemical Property:

• Vapor Pressure: 0.0074mmHg at 25°C
• Melting Point: 53-54 °C
• Refractive Index: 1.5580
• Boiling Point: 269.1°C at 760mmHg
• Flash Point: 123.4°C
• PSA: 42.37000
• Density: 1.083g/cm³
• LogP: 2.50880
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 180.06088618
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

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

1-(BENZYLTHIO)ACETONE Aldrich ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CSCC1=CC=CC=C1
• Uses: 1-(Benzylthio)-2-propanone is a building block for organic synthesis processes.

Technology Process of 1-(Benzylthio)acetone

There total 12 articles about 1-(Benzylthio)acetone 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: 98.0%

chloroacetone (78-95-5) + phenylmethanethiol (100-53-8) → benzylthioacetone (10230-69-0)

Guidance literature:

With potassium hydroxide; In ethanol; for 0.5h; Ambient temperature;

Reference yield: 80.0%

benzyl thiosulphate (6313-36-6) + acetoacetic acid methyl ester (105-45-3) → benzylthioacetone (10230-69-0)

Guidance literature:

With sodium hydroxide; In toluene; at 100 ℃; for 18h; Sealed tube;

DOI:10.3762/BJOC.17.24

Reference yield: 76.0%

dibenzyl disulphide (150-60-7) + 1-bromoacetone (598-31-2) → benzylthioacetone (10230-69-0)

Guidance literature:

With C₄₀H₃₂N₄O₇Ti₂⁽²⁺⁾*2C₈F₁₇O₃S^(1-); zinc; In toluene; at 60 ℃; for 12h;

upstream raw materials:

sodium benzylmercaptide

chloroacetone

phenylmethanethiol

dibenzyl disulphide

Downstream raw materials:

S-benzyl phenyl-methanethiosulfonate

phenylmethanesulfinyl-acetone

1-(phenylmethanesulfonyl)propan-2-one

S-Benzyl-α-methyl-D/L-cysteine