2-[(3-Methoxyphenyl)methyl]propane-1,3-diol

Base Information

• Chemical Name: 2-[(3-Methoxyphenyl)methyl]propane-1,3-diol
• CAS No.: 77756-13-9
• Molecular Formula: C11H16O3
• Molecular Weight: 196.246
• DSSTox Substance ID: DTXSID10439948
• Nikkaji Number: J1.105.093J
• Wikidata: Q82256060
• Mol file: 77756-13-9.mol

Synonyms:77756-13-9;2-[(3-Methoxyphenyl)methyl]-1,3-propanediol;2-[(3-methoxyphenyl)methyl]propane-1,3-diol;2-(3-methoxybenzyl)propane-1,3-diol;starbld0006390;DTXSID10439948;AKOS017514532;2-(3-Methoxybenzyl)-1,3-propanediol;2-(3-Methoxy-benzyl)-propane-1,3-diol;FT-0671328

Chemical Property of 2-[(3-Methoxyphenyl)methyl]propane-1,3-diol

Chemical Property:

• Boiling Point: 368.4±27.0 °C(Predicted)
• PKA: 14.41±0.10(Predicted)
• PSA: 49.69000
• Density: 1.123±0.06 g/cm3(Predicted)
• LogP: 0.83850
• Solubility.: Dichloromethane, Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 196.109944368
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

2-[(3-Methoxyphenyl)methyl]-1,3-propanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)CC(CO)CO

Technology Process of 2-[(3-Methoxyphenyl)methyl]propane-1,3-diol

There total 2 articles about 2-[(3-Methoxyphenyl)methyl]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: 79.0%

[(3-methoxyphenyl)methyl]propanedioic acid diethyl ester (61227-48-3) → 2-<(3-methoxyphenyl)methyl>-1,3-propanediol (77756-13-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Ambient temperature;

Reference yield:

1-bromomethyl-3-methoxybenzene (874-98-6) → 2-<(3-methoxyphenyl)methyl>-1,3-propanediol (77756-13-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) C₂H₅ONa / 1.) ethanol, 2.) ethanol a) RT, overnight, b) reflux, 8 h

2: 79 percent / LiAlH₄ / diethyl ether / 2 h / Ambient temperature

With lithium aluminium tetrahydride; sodium ethanolate; In diethyl ether;

Reference yield: 82.0%

2-<(3-methoxyphenyl)methyl>-1,3-propanediol (77756-13-9) + benzyl chloride (100-44-7) → 3-methoxy-β-(phenylmethoxymethyl)benzenepropanol (111075-23-1)

Guidance literature:

With tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; In paraffin; for 7h; Ambient temperature;

DOI:10.1002/recl.19861051206

upstream raw materials:

[(3-methoxyphenyl)methyl]propanedioic acid diethyl ester

1-bromomethyl-3-methoxybenzene

Downstream raw materials:

3-methoxy-β-(phenylmethoxymethyl)benzenepropanol

[2-Carboxymethoxymethyl-3-(3-methoxy-phenyl)-propoxy]-acetic acid

Toluene-4-sulfonic acid 2-hydroxymethyl-3-(3-methoxy-phenyl)-propyl ester

3-methoxy-β-(methoxymethyl)benzenepropanol

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 77756-13-9 2-[(3-Methoxyphenyl)Methyl]-1,3-propanediol

Send

Send

Metric Ton KG G Pound L ML

Send

Send