2-Mercapto-1-phenylethanone

Base Information

• Chemical Name: 2-Mercapto-1-phenylethanone
• CAS No.: 2462-02-4
• Molecular Formula: C8H8 O S
• Molecular Weight: 152.217
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80454168
• Nikkaji Number: J445.767F
• Wikidata: Q72488633
• Mol file: 2462-02-4.mol

Synonyms:2-mercapto-1-phenylethanone;2462-02-4;1-phenyl-2-sulfanylethan-1-one;1-PHENYL-2-SULFANYLETHANONE;Ethanone, 2-mercapto-1-phenyl-;2-mercapto acetophenone;1-Phenyl-2-mercaptoethanone;SCHEMBL108519;DTXSID80454168;DIYFBIOUBFTQJU-UHFFFAOYSA-N;CAA46202;MFCD00661458;AKOS015950885;EN300-98345;E84473;FL0

Chemical Property of 2-Mercapto-1-phenylethanone

Chemical Property:

• Melting Point: 23-24 °C
• Boiling Point: 116-122 °C(Press: 4 Torr)
• PKA: 8.11±0.10(Predicted)
• PSA: 55.87000
• Density: 1.1753 g/cm3
• LogP: 1.79910
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.02958605
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%Min ^*data from raw suppliers

1-PHENYL-2-SULFANYLETHAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Mercapto-1-phenylethanone

There total 16 articles about 2-Mercapto-1-phenylethanone 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: 90.0%

α-bromoacetophenone (70-11-1) → 2-mercaptoacetophenone (2462-02-4)

Guidance literature:

With hydrosulfide exchange resin (from Amberlite IRA-400); triethylamine hydrochloride; In methanol; for 1h; Ambient temperature;

DOI:10.1055/s-1995-3929

Reference yield: 56.0%

phenacyl methyl disulfide (357913-52-1) + thiophenol (108-98-5) → 2-mercaptoacetophenone (2462-02-4)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 2h;

Reference yield:

ammonium dithiocarbamate (513-74-6) + 1-chloroacetophenone (532-27-4,108321-66-0,164322-25-2) → 2-Mercapto-4-phenylthiazole (2103-88-0) + 2-mercaptoacetophenone (2462-02-4)

Guidance literature:

With water; beim Behandeln Der Jeweils erhaltenen Reaktionsloesung mit wss. NaOH;

DOI:10.1021/jo01163a018

upstream raw materials:

ammonium dithiocarbamate

1-chloroacetophenone

α-bromoacetophenone

1-phenyl-2-hydroxyethanone

Downstream raw materials:

2-(2-nitro-phenyldisulfanyl)-1-phenyl-ethanone

2-methyl-4-phenylthiazole

ethyl-2 methyl-2 phenyl-4 Δ-3 thiazoline

3-(2-Oxo-2-phenyl-ethylsulfanyl)-cyclohexanone

Refernces

• 1、 Miao, Pannan,Li, Ruining,Lin, Xianfeng,Rao, Liangming,Sun, Zhankui. "Visible-light induced metal-free cascade Wittig/hydroalkylation reactions". . p. 1638 - 1641. Retrieved 2021/03/09.
• 2、 Suzuki, Itaru,Sakamoto, Yuki,Seo, Yuta,Ninomaru, Yoriko,Tokuda, Kodai,Shibata, Ikuya. "Synthesis of 5-Membered Sulfur Heterocycles via Tin-Catalyzed Annulation of Mercapto Ketones with Activated Alkenes". . p. 2759 - 2769. Retrieved 2020/01/31.