1-Phenyl-2-sulfanylpropan-1-one

Base Information

• Chemical Name: 1-Phenyl-2-sulfanylpropan-1-one
• CAS No.: 13792-77-3
• Molecular Formula: C₉H₁₀OS
• Molecular Weight: 166.244
• DSSTox Substance ID: DTXSID10498974
• Mol file: 13792-77-3.mol

Synonyms:1-Phenyl-2-sulfanylpropan-1-one;13792-77-3;1-Propanone, 2-mercapto-1-phenyl-;alpha-Mercaptopropiophenon;SCHEMBL5833747;DTXSID10498974;EN300-191215

Chemical Property of 1-Phenyl-2-sulfanylpropan-1-one

Chemical Property:

• Boiling Point: 135-138 °C(Press: 13 Torr)
• PSA: 55.87000
• Density: 1.094±0.06 g/cm3(Predicted)
• LogP: 2.18760
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.04523611
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

1-phenyl-2-sulfanylpropan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Phenyl-2-sulfanylpropan-1-one

There total 4 articles about 1-Phenyl-2-sulfanylpropan-1-one 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: 100.0%

S-1-methyl-2-oxo-2-phenylethyl thioacetate (14229-62-0) → 2-mercapto-1-phenylpropan-1-one (13792-77-3,140237-90-7,140237-91-8)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 25 ℃; for 1h;

DOI:10.1039/c6ob02256a

Reference yield: 89.0%

2-chloro-1-phenylpropan-1-one (6084-17-9) → 2-mercapto-1-phenylpropan-1-one (13792-77-3,140237-90-7,140237-91-8)

Guidance literature:

With sodium hydrogensulfide; In methanol; diethyl ether; at -20 ℃; for 4h;

DOI:10.1007/BF00808632

Reference yield:

2-bromo-1-phenyl-1-propanone (2114-00-3) → 2-mercapto-1-phenylpropan-1-one (13792-77-3,140237-90-7,140237-91-8)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 0.5 h / 0 °C

2: hydrazine hydrate / acetonitrile / 0.25 h / 0 °C

With hydrazine hydrate; In N,N-dimethyl-formamide; acetonitrile;

DOI:10.1039/c6ob02256a

upstream raw materials:

2-chloro-1-phenylpropan-1-one

2-ethyl-5-methyl-2,4-diphenyl-2,5-dihydro-thiazole

2-bromo-1-phenyl-1-propanone

S-1-methyl-2-oxo-2-phenylethyl thioacetate

Downstream raw materials:

2-methyl-3-phenyl-1-thia-4-aza-spiro[4.7]dodec-3-ene

2-ethyl-2,5-dimethyl-4-phenyl-2,5-dihydro-thiazole

1-Phenyl-β-<2-hydroxy-propyl-mercapto>-propanon (1)

2-methylsulfanyl-1-phenyl-propan-1-one