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

Base Information

• Chemical Name: 4-(Hydroxymethyl)-2-[(4-hydroxyphenyl)methyl]phenol
• CAS No.: 21243-72-1
• Molecular Formula: C₁₄H₁₄O₃
• Molecular Weight: 230.263
• DSSTox Substance ID: DTXSID70547053
• Nikkaji Number: J1.741.782G
• Wikidata: Q82425060
• Mol file: 21243-72-1.mol

Synonyms:21243-72-1;2-(4-hydroxybenzyl)-4-(hydroxymethyl)phenol;4-(Hydroxymethyl)-2-[(4-hydroxyphenyl)methyl]phenol;5-methylol-2,4'-dihydroxydiphenylmethane;DTXSID70547053

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

Chemical Property:

• Melting Point: 155-158 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• Boiling Point: 460.5±40.0 °C(Predicted)
• PSA: 60.69000
• Density: 1.282±0.06 g/cm3(Predicted)
• 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:

SDS file from LookChem

Useful:

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

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

There total 10 articles about 4-(Hydroxymethyl)-2-[(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) + 2-[(4-hydroxyphenyl)methyl]phenol (2467-03-0) → 2-hydroxy-5-salicyl-benzyl alcohol (21243-73-2) + 5-(hydroxymethyl)-2,4'-dihydroxydiphenylmethane (21243-72-1) + 2-hydroxy-3-(4-hydroxy-benzyl)-benzyl alcohol (21243-71-0) + 2-(4-Hydroxy-benzyl)-4,6-bis-hydroxymethyl-phenol

Guidance literature:

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

DOI:10.1002/mrc.1089

Reference yield:

5-carboxy-2,4'-dihydroxydiphenylmethane (502160-56-7) → 5-(hydroxymethyl)-2,4'-dihydroxydiphenylmethane (21243-72-1)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

Reference yield:

2,6-dibromo-4-bromomethyl-phenol (5532-75-2) → 5-(hydroxymethyl)-2,4'-dihydroxydiphenylmethane (21243-72-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 140 °C / Erhitzen des Reaktionsprodukts mit wss. NaOH

2: nickel-aluminium-alloy; aqueous NaOH

3: LiAlH₄; diethyl ether

With sodium hydroxide; lithium aluminium tetrahydride; aluminum nickel; diethyl ether;

upstream raw materials:

5-carboxy-2,4'-dihydroxydiphenylmethane

(4-hydroxyphenyl)methanol

formaldehyd

2-[(4-hydroxyphenyl)methyl]phenol