3-Hydroxy-3-phenylpropenedithioic acid methyl ester

Base Information

• Chemical Name: 3-Hydroxy-3-phenylpropenedithioic acid methyl ester
• CAS No.: 13636-68-5
• Molecular Formula: C10H10OS2
• Molecular Weight: 210.321
• Hs Code.: 2930909090
• Mol file: 13636-68-5.mol

Synonyms:2-Propene(dithioic) acid,3-hydroxy-3-phenyl-,methyl ester;2-Propene(dithioic) acid,methyl ester;3-Hydroxy-3-phenyl-prop-2-en-dithiosaeuremethylester;methyl 3-hydroxy-3-phenyl-prop-2-enedithioate;methyl 3-hydroxy-3-phenyl-2-propenedithiolate;

Chemical Property of 3-Hydroxy-3-phenylpropenedithioic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.000383mmHg at 25°C
• Melting Point: 56-57 °C
• Boiling Point: 317.5°C at 760 mmHg
• PKA: 7.66±0.50(Predicted)
• Flash Point: 145.8°C
• PSA: 77.62000
• Density: 1.199g/cm³
• LogP: 3.27590

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Hydroxy-3-phenylpropenedithioic acid methyl ester

There total 4 articles about 3-Hydroxy-3-phenylpropenedithioic acid methyl ester 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%

(S,S)-dimethyl trithiocarbonate (2314-48-9) + acetophenone (98-86-2) → methyl 3-hydroxy-3-phenylprop-2-enedithioate (13636-68-5)

Guidance literature:

acetophenone; With sodium hydride; In hexane; N,N-dimethyl-formamide; at 0 ℃; for 1h; Inert atmosphere;

(S,S)-dimethyl trithiocarbonate; In hexane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 10h; Inert atmosphere;

DOI:10.1021/acs.inorgchem.9b01934

Reference yield: 53.0%

carbon disulfide (75-15-0,12122-00-8) + acetophenone (98-86-2) + methyl iodide (74-88-4) → methyl 3-hydroxy-3-phenylprop-2-enedithioate (13636-68-5)

Guidance literature:

carbon disulfide; acetophenone; With potassium tert-butylate; In diethyl ether; at 0 ℃; for 1.5h; Inert atmosphere;

methyl iodide; In diethyl ether; at 0 ℃; for 1.5h; Inert atmosphere;

DOI:10.1016/j.jorganchem.2014.07.023

Reference yield:

Sodium; (Z)-3-hydroxy-3-phenyl-dithioacrylate + methyl iodide (74-88-4) → methyl 3-hydroxy-3-phenylprop-2-enedithioate (13636-68-5)

Guidance literature:

upstream raw materials:

(S,S)-dimethyl trithiocarbonate

acetophenone

carbon disulfide

methyl iodide

Downstream raw materials:

β-Hydroxyzimtsaeure-N.N'-diphenylamidin

3-benzoyl-8-ethoxy-2H-chromene-2-thione

3-benzoyl-2H-chromene-2-thione

3-benzoyl-chromen-2-one