3-(p-Tolylthio)-1,2-propanediol

Base Information

• Chemical Name: 3-(p-Tolylthio)-1,2-propanediol
• CAS No.: 63991-89-9
• Molecular Formula: C10H14 O2 S
• Molecular Weight: 198.282
• DSSTox Substance ID: DTXSID60981846
• Nikkaji Number: J90.355H
• Mol file: 63991-89-9.mol

Synonyms:1,2-propanediol, 3-[(4-methylphenyl)thio]-;3-(p-Tolylthio)-1,2-propanediol;1,2-Propanediol, 3-(p-tolylthio)-;DTXSID60981846;AKOS017277414;3-[(4-METHYLPHENYL)SULFANYL]PROPANE-1,2-DIOL

Chemical Property of 3-(p-Tolylthio)-1,2-propanediol

Chemical Property:

• Vapor Pressure: 2.54E-06mmHg at 25°C
• Boiling Point: 376°Cat760mmHg
• Flash Point: 182.8°C
• PSA: 83.55000
• Density: 1.2g/cm³
• LogP: 3.20900
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 198.07145086
• Heavy Atom Count: 13
• Complexity: 133

Purity/Quality:

3-(P-TOLYLTHIO)-1,2-PROPANEDIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SCC(CO)O

Technology Process of 3-(p-Tolylthio)-1,2-propanediol

There total 3 articles about 3-(p-Tolylthio)-1,2-propanediol 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: 58.0%

oxiranyl-methanol (556-52-5) + para-thiocresol (106-45-6) → 3-p-tolylsulfanyl-propane-1,2-diol (63991-89-9)

Guidance literature:

With poly(isobutylene)-supported Cr(III)-salen complex; In ethanol; n-heptane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jo102044m

Reference yield:

→ 3-p-tolylsulfanyl-propane-1,2-diol (63991-89-9)

Guidance literature:

With sulfuric acid;

DOI:10.1039/jr9490002198

Reference yield:

→ 3-p-tolylsulfanyl-propane-1,2-diol (63991-89-9)

Guidance literature:

With ethanol; zuletzt auf dem Dampfbad;

DOI:10.1039/jr9490002198

upstream raw materials:

oxiranyl-methanol

para-thiocresol

Downstream raw materials:

2-(4-tolylthio)acetaldehyde

3-(toluene-4-sulfonyl)-propane-1,2-diol

p-tolylsulfanyl-acetaldehyde-semicarbazone

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