3-Buten-2-one, 1-(phenylthio)-

Base Information

• Chemical Name: 3-Buten-2-one, 1-(phenylthio)-
• CAS No.: 66613-24-9
• Molecular Formula: C10H10OS
• Molecular Weight: 178.255
• DSSTox Substance ID: DTXSID30449185
• Nikkaji Number: J773.066G
• Wikidata: Q82268574

Synonyms:3-Buten-2-one, 1-(phenylthio)-;66613-24-9;phenylthiomethyl vinyl ketone;SCHEMBL8923484;phenylsulfanylmethyl vinyl ketone;1-(Phenylthio)-3-buten-2-one;DTXSID30449185;MWHNNBRYIUQZPY-UHFFFAOYSA-N;AKOS014912690

Chemical Property of 3-Buten-2-one, 1-(phenylthio)-

Chemical Property:

• PSA: 42.37000
• LogP: 2.53380
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.04523611
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CC(=O)CSC1=CC=CC=C1

Technology Process of 3-Buten-2-one, 1-(phenylthio)-

There total 10 articles about 3-Buten-2-one, 1-(phenylthio)- 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: 86.0%

3-oxo-1-phenylthiolanium perchlorate → (phenylsulfanyl)methyl vinyl ketone (66613-24-9)

Guidance literature:

With sodium methylate; In methanol;

DOI:10.1039/P19810001119

Reference yield: 82.0%

1-phenylsulfanyl-but-3-en-2-ol (20614-49-7) → (phenylsulfanyl)methyl vinyl ketone (66613-24-9)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; 1.) 15 deg C, 1 h, 2.) RT, 2.5 h;

DOI:10.1016/S0957-4166(99)00142-1

Reference yield: 19.0%

potassium acetate (127-08-2) + 3-oxo-1-phenylthiolanium perchlorate → (phenylsulfanyl)methyl vinyl ketone (66613-24-9) + 1-phenylthio-4-acetoxy-2-butanone (75273-64-2)

Guidance literature:

In acetic acid; for 2.5h; Heating;

DOI:10.1039/P19810001119

upstream raw materials:

(Z)-2-methoxy-1-(phenylthio)-1,3-butadiene

1-phenylsulfanyl-but-3-en-2-ol

potassium acetate

1-diazo-4-(phenylthio)butan-2-one

Downstream raw materials:

4-phenylamino-1-phenylthiobutan-2-one

S-tert-butyl (2R)-[(1R,2R)-3-oxo-2-(3-oxo-4-phenylthiobutyl)cyclopentyl]-4-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanethioate

(7aR)-7a-methyl-4-phenylsulfanyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione

S-tert-butyl (2S)-[(1S,2S)-3-oxo-2-(3-oxo-4-phenylthiobutyl)cyclopentyl-]-3-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]propanethioate

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