2-(Hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]phenol

Base Information

• Chemical Name: 2-(Hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]phenol
• CAS No.: 21243-68-5
• Molecular Formula: C₁₄H₁₄O₃
• Molecular Weight: 230.263
• Hs Code.: 2907299090
• DSSTox Substance ID: DTXSID10175490
• Nikkaji Number: J523.866H
• Wikidata: Q83045843
• Mol file: 21243-68-5.mol

Synonyms:4,4'-dihydroxy-3-(hydroxymethyl)diphenylmethane;DH-3-HPM

Chemical Property of 2-(Hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]phenol

Chemical Property:

• Vapor Pressure: 1.1E-07mmHg at 25°C
• Boiling Point: 421°C at 760 mmHg
• Flash Point: 205.7°C
• PSA: 60.69000
• Density: 1.282g/cm³
• LogP: 2.18090
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.094294304
• Heavy Atom Count: 17
• Complexity: 224

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC2=CC(=C(C=C2)O)CO)O

Technology Process of 2-(Hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]phenol

There total 8 articles about 2-(Hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]phenol 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + bis-(4-hydroxyphenyl)methane (620-92-8) → 3-methylol-4,4'-dihydroxydiphenylmethane (21243-68-5) + 4,4'-methylenebis[2,6-bis(hydroxymethyl)phenol] (13653-12-8) + 4,4'-methylenebis[2-(hydroxymethyl)phenol] (2346-44-3) + 4-(4-hydroxybenzyl)-2,6-bis(hydroxymethyl)phenol (98711-09-2)

Guidance literature:

With sodium hydroxide; In water; at 60 ℃; for 1h; Further byproducts given;

DOI:10.1002/mrc.1089

Reference yield:

2-hydroxy-5-(4-hydroxy-benzyl)-benzoic acid (860756-97-4) → 3-methylol-4,4'-dihydroxydiphenylmethane (21243-68-5)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

Reference yield:

2-methylmethoxybenzene (578-58-5) → 3-methylol-4,4'-dihydroxydiphenylmethane (21243-68-5)

Guidance literature:

Multi-step reaction with 5 steps

1: AlCl₃

2: aqueous KMnO₄

3: concentrated aqueous HBr; acetic acid

4: amalgamated zinc; aqueous HCl

5: LiAlH₄; diethyl ether

With hydrogenchloride; potassium permanganate; lithium aluminium tetrahydride; aluminium trichloride; amalgamated zinc; diethyl ether; hydrogen bromide; acetic acid;

upstream raw materials:

2-hydroxy-5-(4-hydroxy-benzyl)-benzoic acid

formaldehyd

bis-(4-hydroxyphenyl)methane

2-methylmethoxybenzene