1-(3-Methylphenyl)propane-1,3-diol

Base Information

Chemical Name:1-(3-Methylphenyl)propane-1,3-diol
CAS No.:51699-43-5
Molecular Formula:C10H14O2
Molecular Weight:166.22
Hs Code.:
DSSTox Substance ID:DTXSID60582655
Mol file:51699-43-5.mol

Synonyms:51699-43-5;1-(3-Methylphenyl)propane-1,3-diol;2249964-34-7;(S)-1-(m-Tolyl)-1,3-propanediol;SCHEMBL3196398;DTXSID60582655;SY348539

Suppliers and Price of 1-(3-Methylphenyl)propane-1,3-diol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 1-(3-Methylphenyl)propane-1,3-diol

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:166.099379685
Heavy Atom Count:12
Complexity:125

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC=C1)C(CCO)O

Technology Process of 1-(3-Methylphenyl)propane-1,3-diol

There total 6 articles about 1-(3-Methylphenyl)propane-1,3-diol 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%

: 33166-79-9
ethyl m-toluoylacetate

: 51699-43-5
1-(3-methylphenyl)-1,3-propanediol

Guidance literature:: With methanol; sodium tetrahydroborate; at 0 - 20 ℃; for 2.5h;
DOI:10.1002/anie.202101477

Reference yield:

: 51699-38-8
ethyl 3-hydroxy-3-(m-tolyl)propanoate

: 51699-43-5
1-(3-methylphenyl)-1,3-propanediol

Guidance literature:: With lithium aluminium tetrahydride; In diethyl ether;

Reference yield:

: 620-23-5
m-tolyl aldehyde

: 51699-43-5
1-(3-methylphenyl)-1,3-propanediol

Guidance literature:: Multi-step reaction with 2 steps

1.1: LDA / tetrahydrofuran; hexane / 0.5 h / -78 °C

1.2: tetrahydrofuran; hexane / 2.5 h / -78 - 20 °C

2.1: LiAlH₄ / diethyl ether / 0 - 20 °C

With lithium aluminium tetrahydride; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; hexane;
DOI:10.1021/jm0607449