3-(m-Tolyloxy)-1,2-propanediol

Base Information

• Chemical Name: 3-(m-Tolyloxy)-1,2-propanediol
• CAS No.: 621-24-9
• Molecular Formula: C₁₀H₁₄O₃
• Molecular Weight: 182.219
• NSC Number: 25241
• DSSTox Substance ID: DTXSID501295192
• Nikkaji Number: J50.913B
• Mol file: 621-24-9.mol

Synonyms:3-(m-Tolyloxy)-1,2-propanediol;621-24-9;m-Mephenesin;1,2-Propanediol, 3-(m-tolyloxy)-;3-(3-methylphenoxy)propane-1,2-diol;3-(m-Methylphenoxy)-1,2-propanediol;NSC 25241;BRN 1948930;1,2-Propanediol, 3-(3-methylphenoxy)-;3-(3-Methylphenoxy)-1,2-propanediol;NSC25241;1, 3-(m-tolyloxy)-;M-TOLUENE ISOCYANATE;WLN: Q1YQ1OR C1;1, 3-(3-methylphenoxy)-;SCHEMBL1496789;DTXSID501295192;NSC-25241;AKOS021169668;LS-120749;1,2-Propanediol, 3-(3-methylphenoxy)- (9CI)

Chemical Property of 3-(m-Tolyloxy)-1,2-propanediol

Chemical Property:

• Vapor Pressure: 1.21E-05mmHg at 25°C
• Boiling Point: 354.7°Cat760mmHg
• Flash Point: 168.3°C
• PSA: 49.69000
• Density: 1.152g/cm³
• LogP: 0.72700
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(m-Tolyloxy)-1,2-propanediol

There total 10 articles about 3-(m-Tolyloxy)-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: 66.0%

3-methyl-phenol (108-39-4) + 3-monochloro-1,2-propanediol (96-24-2) → 3-m-Tolyloxy-propane-1,2-diol (621-24-9,56715-23-2,147256-20-0)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h; Heating;

DOI:10.1016/S0957-4166(97)00626-5

Reference yield:

m-tolyl glycidyl ether (2186-25-6) → 3-m-Tolyloxy-propane-1,2-diol (621-24-9,56715-23-2,147256-20-0)

Guidance literature:

With toluene-4-sulfonic acid;

Reference yield:

m-tolyl glycidyl ether (2186-25-6) → 3-m-Tolyloxy-propane-1,2-diol (621-24-9,56715-23-2,147256-20-0) + (2S)-3-(3-methylphenoxy)-1,2-epoxypropane (101623-41-0)

Guidance literature:

With water; at 20 ℃; enantioselective reaction; Resolution of racemate;

DOI:10.1039/c4cy00594e

upstream raw materials:

3-methyl-phenol

3-monochloro-1,2-propanediol

glycerol

m-tolyl glycidyl ether

Downstream raw materials:

5-m-tolyloxymethyl-oxazolidin-2-one

(S)-1-acetoxy-3-(3-methylphenoxy)propan-2-ol

(R)-1-acetoxy-3-(3-methylphenoxy)propan-2-ol

Acetic acid (S)-1-acetoxymethyl-2-m-tolyloxy-ethyl ester

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