3-(2,3,4-Trimethoxyphenyl)propan-1-ol

Base Information

• Chemical Name: 3-(2,3,4-Trimethoxyphenyl)propan-1-ol
• CAS No.: 106800-17-3
• Molecular Formula: C12H18 O4
• Molecular Weight: 226.273
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID40472883
• Wikidata: Q82302071
• Mol file: 106800-17-3.mol

Synonyms:106800-17-3;3-(2,3,4-trimethoxyphenyl)propan-1-ol;3-(2,3,4-TRIMETHOXY-PHENYL)-PROPAN-1-OL;Benzenepropanol,2,3,4-trimethoxy-;SCHEMBL4774241;DTXSID40472883;EN300-1857168

Chemical Property of 3-(2,3,4-Trimethoxyphenyl)propan-1-ol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 333.137°C at 760 mmHg
• Flash Point: 155.276°C
• PSA: 47.92000
• Density: 1.086g/cm³
• LogP: 1.63730
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 226.12050905
• Heavy Atom Count: 16
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

3-(2,3,4-TRIMETHOXY-PHENYL)-PROPAN-1-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)CCCO)OC)OC

Technology Process of 3-(2,3,4-Trimethoxyphenyl)propan-1-ol

There total 2 articles about 3-(2,3,4-Trimethoxyphenyl)propan-1-ol 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: 84.0%

3-(2,3,4-trimethoxy-phenyl)-propionic acid (33130-04-0) → 3-(2,3,4-trimethoxyphenyl)propanol (106800-17-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; for 0.5h; Ambient temperature;

DOI:10.1021/jo00382a018

Reference yield:

3-(2,3,4-trimethoxyphenyl)-2-propen-1-ol (125872-57-3) → 3-(2,3,4-trimethoxyphenyl)propanol (106800-17-3)

Guidance literature:

Reference yield: 34.0%

3-(2,3,4-trimethoxyphenyl)propanol (106800-17-3) → 3-(4-hydroxy-2,3-dimethoxyphenyl)propanol (106800-31-1) + 3-(2-hydroxy-3,4-dimethoxyphenyl)propanol (106800-30-0) + 3-(3-hydroxy-2,4-dimethoxyphenyl)propanol (106800-32-2)

Guidance literature:

With sodium thioethylate; In N,N-dimethyl-formamide; at 115 - 120 ℃; for 4h;

DOI:10.1021/jo00382a018

upstream raw materials:

3-(2,3,4-trimethoxy-phenyl)-propionic acid

3-(2,3,4-trimethoxyphenyl)-2-propen-1-ol

Downstream raw materials:

3-(4-hydroxy-2,3-dimethoxyphenyl)propanol

3-(2-hydroxy-3,4-dimethoxyphenyl)propanol

3-(3-hydroxy-2,4-dimethoxyphenyl)propanol

3-(2,3,4-trimethoxyphenyl)propyl methane-sulfonate

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