3-(2-Methoxy-3-methylphenyl)-1,2-propanediol

Base Information

• Chemical Name: 3-(2-Methoxy-3-methylphenyl)-1,2-propanediol
• CAS No.: 53948-44-0
• Molecular Formula: C11H16O3
• Molecular Weight: 196.2429
• DSSTox Substance ID: DTXSID40968751
• Mol file: 53948-44-0.mol

Synonyms:3-(2-Methoxy-3-methylphenyl)-1,2-propanediol;1,2-Propanediol, 3-(2-methoxy-3-methylphenyl)-;3-(3'-Methyl-2'-methoxyphenyl)-1,2-dihydroxypropane;53948-44-0;3-(2-methoxy-3-methylphenyl)propane-1,2-diol;DTXSID40968751;LS-120549

Chemical Property of 3-(2-Methoxy-3-methylphenyl)-1,2-propanediol

Chemical Property:

• Vapor Pressure: 1.5E-05mmHg at 25°C
• Boiling Point: 351.6°C at 760 mmHg
• Flash Point: 166.5°C
• Density: 1.125g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 196.109944368
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2-Methoxy-3-methylphenyl)-1,2-propanediol

There total 1 articles about 3-(2-Methoxy-3-methylphenyl)-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: 85.0%

1-allyl-2-methoxy-3-methylbenzene (53948-45-1) → c11h16o3 (53948-44-0)

Guidance literature:

With osmium(VIII) oxide; 4-methylmorpholine N-oxide; In water; acetone; acetonitrile; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c4ob02302a

Reference yield:

c11h16o3 (53948-44-0) → 5-methoxy-6-methyl-3,4-dihydronaphthalen-1-(2H)-one (1093296-24-2)

Guidance literature:

Multi-step reaction with 5 steps

1.1: sodium periodate / acetone; water / 1 h / 0 °C / Inert atmosphere

2.1: benzene / 12 h / 20 °C / Inert atmosphere

3.1: sodium tetrahydroborate; nickel(II) chloride hexahydrate / methanol / 1 h / 0 °C / Inert atmosphere

4.1: lithium hydroxide monohydrate / water; tetrahydrofuran / 12 h / 20 °C / Inert atmosphere

4.2: 0 °C / pH 2 / Inert atmosphere

5.1: PPA / 0.55 h / 90 °C / Inert atmosphere

With sodium tetrahydroborate; sodium periodate; nickel(II) chloride hexahydrate; lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water; acetone; benzene; 2.1: |Wittig Olefination / 5.1: |Friedel-Crafts Acylation;

DOI:10.1039/c4ob02302a

upstream raw materials:

1-allyl-2-methoxy-3-methylbenzene

Downstream raw materials:

5-methoxy-6-methyl-3,4-dihydronaphthalen-1-(2H)-one