4-Methoxy-1,2-benzenedimethanol

Base Information

• Chemical Name: 4-Methoxy-1,2-benzenedimethanol
• CAS No.: 36132-95-3
• Molecular Formula: C9H12O3
• Molecular Weight: 168.192
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID90503171
• Wikidata: Q82356780
• Mol file: 36132-95-3.mol

Synonyms:4-Methoxy-1,2-benzenedimethanol;36132-95-3;[2-(hydroxymethyl)-4-methoxyphenyl]methanol;(4-METHOXY-1,2-PHENYLENE)DIMETHANOL;4-Methoxybenzene-1,2-dimethanol;1,2-Benzenedimethanol, 4-methoxy-;SCHEMBL2061056;DTXSID90503171;AMY41944;MFCD15147230;AKOS015890717;(4-methoxybenzene-1,2-diyl)dimethanol;AS-31444;(2-Hydroxymethyl-4-methoxy-phenyl)-methanol;CS-0199639;A874430;[2-(HYDROXYMETHYL)-5-METHOXYPHENYL]METHANOL

Chemical Property of 4-Methoxy-1,2-benzenedimethanol

Chemical Property:

• Melting Point: 70-72 °C
• Boiling Point: 336.9±32.0 °C(Predicted)
• PKA: 14.33±0.10(Predicted)
• PSA: 49.69000
• Density: 1.192±0.06 g/cm3(Predicted)
• LogP: 0.67980
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

4-Methoxy-1,2-benzenedimethanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxy-1,2-benzenedimethanol

There total 7 articles about 4-Methoxy-1,2-benzenedimethanol 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: 89.0%

4-methoxyphthalic acid (1885-13-8) → (2-hydroxymethyl-5-methoxy-phenyl)-methanol (36132-95-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 2h; Heating;

DOI:10.1021/ja00102a028

Reference yield: 77.0%

5-methoxyisobenzofuran-1(3H)-one (4741-62-2) → (2-hydroxymethyl-5-methoxy-phenyl)-methanol (36132-95-3)

Guidance literature:

With phenylsilane; potassium hydroxide; In tetrahydrofuran; for 4h; Schlenk technique; Inert atmosphere; Reflux;

DOI:10.1016/j.cclet.2018.11.025

Reference yield: 59.0%

→ (2-hydroxymethyl-5-methoxy-phenyl)-methanol (36132-95-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 17h; Inert atmosphere; Reflux;

upstream raw materials:

4-methoxyphthalic acid

dimethyl 4-hydroxyphthalate

formaldehyd

3-Methoxybenzoic acid

Downstream raw materials:

6-methoxyphthalide

5-methoxyisobenzofuran-1(3H)-one

4-methoxybenzene-1,2-dicarbaldehyde

1,2-bis(bromomethyl)-4-methoxybenzene