4-(Hydroxymethyl)-3-methylphenol

Base Information

• Chemical Name: 4-(Hydroxymethyl)-3-methylphenol
• CAS No.: 22574-58-9
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: 2907299090
• DSSTox Substance ID: DTXSID70592467
• Nikkaji Number: J803.879A
• Wikidata: Q82486596
• Mol file: 22574-58-9.mol

Synonyms:4-(HYDROXYMETHYL)-3-METHYLPHENOL;22574-58-9;4-hydroxymethyl-3-methylphenol;SCHEMBL41776;DTXSID70592467;MEIVQIJCALKJAE-UHFFFAOYSA-N;XAA57458;MFCD07783704;AKOS006284436;SB84101;BS-27937;DB-089965;CS-0196193;N13176

Chemical Property of 4-(Hydroxymethyl)-3-methylphenol

Chemical Property:

• PSA: 40.46000
• LogP: 1.19290
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

4-(Hydroxymethyl)-3-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)O)CO

Technology Process of 4-(Hydroxymethyl)-3-methylphenol

There total 13 articles about 4-(Hydroxymethyl)-3-methylphenol 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: 80.0%

2-(4-hydroxy-2-methylphenyl)-2-oxoethyl formate (1265683-76-8) + methyl iodide (74-88-4) → 4-hydroxymethyl-3-methylphenol (22574-58-9) + 4-hydroxy-2-methylphenylacetic acid methyl ester (114474-04-3)

Guidance literature:

2-(4-hydroxy-2-methylphenyl)-2-oxoethyl formate; In water; acetonitrile; Irradiation;

methyl iodide; With potassium carbonate; In acetonitrile; Reflux;

DOI:10.1021/ol102887f

Reference yield: 70.0%

4-hydroxy-2-methylbenzoic acid methyl ester (57556-31-7) → 4-hydroxymethyl-3-methylphenol (22574-58-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at 0 ℃;

DOI:10.1021/ol102887f

Reference yield:

4-hydroxy-2-methylbenzoic acid (578-39-2) → 4-hydroxymethyl-3-methylphenol (22574-58-9)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 20 - 80 ℃; Inert atmosphere;

upstream raw materials:

formaldehyd

3-methyl-phenol

4-hydroxy-2-methylbenzoic acid

2-(4-hydroxy-2-methylphenyl)-2-oxoethyl methanesulfonate

Downstream raw materials:

2,4-Bis-hydroxymethyl-5-methyl-phenol

4-benzyloxy-2-methylphenylmethanol