3-Hydroxy-4-methoxybenzyl alcohol

Base Information

• Chemical Name: 3-Hydroxy-4-methoxybenzyl alcohol
• CAS No.: 4383-06-6
• Molecular Formula: C8H10O3
• Molecular Weight: 154.166
• Hs Code.: 29094990
• European Community (EC) Number: 224-489-7
• NSC Number: 93802
• DSSTox Substance ID: DTXSID40195949
• Nikkaji Number: J80.813J
• Wikidata: Q984208
• ChEMBL ID: CHEMBL1738713
• Mol file: 4383-06-6.mol

Synonyms:3-Hydroxy-4-methoxybenzyl alcohol;4383-06-6;5-(Hydroxymethyl)-2-methoxyphenol;Isovanillyl alcohol;3-Hydroxy-4-methoxybenzylalcohol;Benzenemethanol, 3-hydroxy-4-methoxy-;MFCD00004644;4-Methoxy-3-hydroxy benzyl alcohol;NSC93802;SCHEMBL347472;5-hydroxymethyl-2-methoxyphenol;CHEMBL1738713;DTXSID40195949;3-hydroxy-4-methoxy-benzyl alcohol;CS-M0791;EINECS 224-489-7;NSC 93802;NSC-93802;5-(Hydroxymethyl)-2-methoxyphenol #;AKOS000249585;DS-1156;FS-3173;3-Hydroxy-4-methoxybenzyl alcohol, 98%;SY006442;FT-0645677;I0648;EN300-331747;A826429;Q984208;2A9

Chemical Property of 3-Hydroxy-4-methoxybenzyl alcohol

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0.00018mmHg at 25°C
• Melting Point: 135-137 °C
• Refractive Index: 1.57
• Boiling Point: 315.8 °C at 760 mmHg
• PKA: 9.75±0.10(Predicted)
• Flash Point: 144.8 °C
• PSA: 49.69000
• Density: 1.226 g/cm³
• LogP: 0.89310
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Isovanillyl Alcohol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CO)O
• Uses: 3-Hydroxy-4-methoxybenzyl alcohol was used in preparation of 2-hydroxymethyl-5-methoxy-2,5-cyclohexadiene-1,4-dione by oxidation with Fremy′s salt.

Technology Process of 3-Hydroxy-4-methoxybenzyl alcohol

There total 13 articles about 3-Hydroxy-4-methoxybenzyl alcohol 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: 100.0%

4-methoxy-3-trifluoromethanesulfonyloxybenzaldehyde (157790-73-3) → 3-hydroxy-4-methoxybenzyl alcohol (4383-06-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1016/S0040-4039(02)01546-0

Reference yield: 95.0%

isovanillin (621-59-0) → 3-hydroxy-4-methoxybenzyl alcohol (4383-06-6)

Guidance literature:

With water; magnesium; cadmium(II) chloride; In tetrahydrofuran; for 0.25h;

DOI:10.1016/0040-4039(93)85040-4

Reference yield: 90.0%

2-(tert-butyl-dimethyl-silanyloxy)-4-(tert-butyl-dimethyl-silanyloxymethyl)-1-methoxy-benzene → 3-hydroxy-4-methoxybenzyl alcohol (4383-06-6)

Guidance literature:

With tin(ll) chloride; In ethanol; at 80 ℃; for 0.666667h;

upstream raw materials:

isovanillin

piperonol

3-benzyloxy-4-methoxy-benzyl alcohol

reticuline

Downstream raw materials:

O-allylisovanillyl alcohol

3-hydroxy-4-methoxy-benzyl acetate

3-acetoxy-4-methoxybenzyl alcohol

3-Hydroxy-4-methoxybenzylphenylether

Refernces

• 1、 Song, Jinliang,Hua, Manli,Huang, Xin,Visa, Aurelia,Wu, Tianbin,Fan, Honglei,Hou, Minqiang,Zhang, Zhaofu,Han, Buxing. "Highly efficient Meerwein-Ponndorf-Verley reductions over a robust zirconium-organoboronic acid hybrid". . p. 1259 - 1265. Retrieved 2021/02/26.
• 2、 Grimm, Christopher,Lazzarotto, Mattia,Pompei, Simona,Schichler, Johanna,Richter, Nina,Farnberger, Judith E.,Fuchs, Michael,Kroutil, Wolfgang. "Oxygen-Free Regioselective Biocatalytic Demethylation of Methyl-phenyl Ethers via Methyltransfer Employing Veratrol- O-demethylase". . p. 10375 - 10380. Retrieved 2020/10/02.