4-(Hydroxymethyl)-3,5-dimethylphenol

Base Information

• Chemical Name: 4-(Hydroxymethyl)-3,5-dimethylphenol
• CAS No.: 28636-93-3
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2907299090
• DSSTox Substance ID: DTXSID60376213
• Nikkaji Number: J264.009K
• Wikidata: Q82165071
• Mol file: 28636-93-3.mol

Synonyms:4-(Hydroxymethyl)-3,5-dimethylphenol;28636-93-3;4-HYDROXY-2,6-DIMETHYL-BENZENEMETHANOL;4-Hydroxy-2,6-dimethylbenzenemethanol;2,6-dimethyl-4-hydroxybenzyl alcohol;Benzenemethanol, 4-hydroxy-2,6-dimethyl-;SCHEMBL3469757;DTXSID60376213;MFCD03411743;4-Hydroxy-2,6-dimethylbenzyl alcohol;AKOS006278886;DK-0713;(4-Hydroxy-2,6-dimethylphenyl)methanol;CS-0210949;FT-0618623;A850164

Chemical Property of 4-(Hydroxymethyl)-3,5-dimethylphenol

Chemical Property:

• Vapor Pressure: 0.000137mmHg at 25°C
• Melting Point: 174-175 °C
• Refractive Index: 1.573
• Boiling Point: 319.8 °C at 760 mmHg
• PKA: 9.99±0.23(Predicted)
• Flash Point: 159.5 °C
• PSA: 40.46000
• Density: 1.133 g/cm³
• LogP: 1.50130
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 113

Purity/Quality:

97% ^*data from raw suppliers

4-(Hydroxymethyl)-3,5-dimethylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1CO)C)O

Technology Process of 4-(Hydroxymethyl)-3,5-dimethylphenol

There total 4 articles about 4-(Hydroxymethyl)-3,5-dimethylphenol 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: 92.0%

2,6-dimethyl-4-hydroxybenzaldehyde (70547-87-4) → 2,6-dimethyl-4-hydroxybenzyl alcohol (28636-93-3)

Guidance literature:

With sodium tetrahydroborate; In ethanol; 1.) 0 deg C, 4 h, 2.) 25 deg C, overnight;

DOI:10.1021/jo00379a003

Reference yield:

4-Iminomethyl-3,5-dimethyl-phenol; hydrochloride → 2,6-dimethyl-4-hydroxybenzyl alcohol (28636-93-3)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / H₂O / 1 h

2: 92 percent / NaBH₄ / aq. ethanol / 1.) 0 deg C, 4 h, 2.) 25 deg C, overnight

With hydrogenchloride; sodium tetrahydroborate; In ethanol; water;

DOI:10.1021/jo00379a003

Reference yield:

3,5-Dimethylphenol (108-68-9,50356-23-5) → 2,6-dimethyl-4-hydroxybenzyl alcohol (28636-93-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) HCl, 2.) AlCl₃, HCl / 1.) benzene, 25 deg C, 1 h, 2.) benzene, 40-45 deg C, 4 h

2: HCl / H₂O / 1 h

3: 92 percent / NaBH₄ / aq. ethanol / 1.) 0 deg C, 4 h, 2.) 25 deg C, overnight

With hydrogenchloride; sodium tetrahydroborate; aluminium trichloride; In ethanol; water;

DOI:10.1021/jo00379a003

upstream raw materials:

2,6-dimethyl-4-hydroxybenzaldehyde

formaldehyd

3,5-Dimethylphenol

Downstream raw materials:

[4-(3'-benzyl-4'-hydroxy-benzyl)-3,5-dimethylphenoxy]methylphosphonic acid

C₃₆H₄₇O₈P

3-[5-(2,6-dimethyl-4-phosphonomethoxybenzyl)-2-hydroxyphenyl]propanoic acid

ethyl 3-[5-(2,6-dimethyl-4-phosphonomethoxybenzyl)-2-hydroxyphenyl]propanoate