1-(4-Methoxyphenyl)propane-1,2-diol

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)propane-1,2-diol
• CAS No.: 51410-48-1
• Molecular Formula: C10H14 O3
• Molecular Weight: 182.219
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID00965726
• Nikkaji Number: J750.359H
• Wikidata: Q82948027
• Metabolomics Workbench ID: 45646
• Mol file: 51410-48-1.mol

Synonyms:1-(4-methoxyphenyl)propane-1,2-diol;1-(4-Methoxyphenyl)-1,2-propanediol;51410-48-1;threo-Anethole glycol;1,2-Propanediol, 1-(4-methoxyphenyl)-;SCHEMBL3234807;DTXSID00965726;CHEBI:181473;MRDZSBVJWOXBRW-UHFFFAOYSA-N;( not+/-)-erythro-Anethole glycol;1-(p-Methoxyphenyl)-1,2-propanediol;1,2-Propanediol, 1-(p-methoxyphenyl)-

Chemical Property of 1-(4-Methoxyphenyl)propane-1,2-diol

Chemical Property:

• Vapor Pressure: 3.21E-05mmHg at 25°C
• Boiling Point: 341°Cat760mmHg
• Flash Point: 160°C
• PSA: 49.69000
• Density: 1.146g/cm³
• LogP: 1.10940
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Methoxyphenyl)propane-1,2-diol

There total 36 articles about 1-(4-Methoxyphenyl)propane-1,2-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: 99.0%

(±)-(1R,2R)-2-hydroxy-1-(4-methoxyphenyl)propyl acetate → (±)-(1R,2R)-1-(4-methoxyphenyl)propane-1,2-diol (51410-48-1,94497-48-0,94497-49-1,103687-27-0,111004-04-7,112018-74-3)

Guidance literature:

With methanol; potassium carbonate;

DOI:10.1021/acs.orglett.6b02959

Reference yield: 98.0%

(±)-(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl acetate → (±)-(1R,2R)-1-(4-methoxyphenyl)propane-1,2-diol (51410-48-1,94497-48-0,94497-49-1,103687-27-0,111004-04-7,112018-74-3)

Guidance literature:

With methanol; potassium carbonate;

DOI:10.1021/acs.orglett.6b02959

Reference yield: 91.0%

E-1-(4'-methoxyphenyl)prop-1-ene (4180-23-8,25086-72-0,63589-56-0) → (±)-(1R,2R)-1-(4-methoxyphenyl)propane-1,2-diol (51410-48-1,94497-48-0,94497-49-1,103687-27-0,111004-04-7,112018-74-3)

Guidance literature:

With AD-mix-β; In water; tert-butyl alcohol; at 20 ℃; for 24h;

DOI:10.1021/jo048248k

upstream raw materials:

1-(1,2-dibromopropyl)-4-methoxybenzene

anethole

E-1-(4'-methoxyphenyl)prop-1-ene

mercury(II) diacetate

Downstream raw materials:

4-methoxy-benzaldehyde

4-methoxybenzoic acid

4-methoxybenzyl methyl ketone

(1SR,2RS)-1-(4-methoxy-phenyl)-propane-1,2-diol

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