1-[4-(2,3-Dihydroxypropoxy)-3-methylphenyl]propan-1-one

Base Information

• Chemical Name: 1-[4-(2,3-Dihydroxypropoxy)-3-methylphenyl]propan-1-one
• CAS No.: 1939-67-9
• Molecular Formula: C13H18 O4
• Molecular Weight: 238.2796
• DSSTox Substance ID: DTXSID70941077

Synonyms:1939-67-9;BRN 0982669;1-[4-(2,3-dihydroxypropoxy)-3-methylphenyl]propan-1-one;4'-(2,3-Dihydroxypropoxy)-3'-methylpropiophenone;Propiophenone, 4'-(2,3-dihydroxypropoxy)-3'-methyl-;DTXSID70941077

Chemical Property of 1-[4-(2,3-Dihydroxypropoxy)-3-methylphenyl]propan-1-one

Chemical Property:

• Vapor Pressure: 2.64E-08mmHg at 25°C
• Boiling Point: 434.1°Cat760mmHg
• Flash Point: 164.8°C
• Density: 1.155g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 238.12050905
• Heavy Atom Count: 17
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[4-(2,3-Dihydroxypropoxy)-3-methylphenyl]propan-1-one

There total 2 articles about 1-[4-(2,3-Dihydroxypropoxy)-3-methylphenyl]propan-1-one 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:

1-(4-hydroxy-3-methylphenyl)propan-1-one (940-04-5) + 3-monochloro-1,2-propanediol (96-24-2) → 1-[4-(2,3-dihydroxy-propoxy)-3-methyl-phenyl]-propan-1-one (1939-67-9)

Guidance literature:

With sodium ethanolate; In ethanol; Heating;

Reference yield:

→ 1-[4-(2,3-dihydroxy-propoxy)-3-methyl-phenyl]-propan-1-one (1939-67-9)

Guidance literature:

Hydroxyverb., epi-Chlorhydrin;

Reference yield:

urethane (51-79-6) + 1-[4-(2,3-dihydroxy-propoxy)-3-methyl-phenyl]-propan-1-one (1939-67-9) → 5-(2-methyl-4-propionyl-phenoxymethyl)-oxazolidin-2-one (1443-73-8)

Guidance literature:

With aluminum isopropoxide; In neat (no solvent); at 20 - 230 ℃; for 10h;

upstream raw materials:

1-(4-hydroxy-3-methylphenyl)propan-1-one

3-monochloro-1,2-propanediol

Downstream raw materials:

5-(2-methyl-4-propionyl-phenoxymethyl)-oxazolidin-2-one

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