4-Amino-2,3,6-trimethylphenol hydrochloride

Base Information

• Chemical Name: 4-Amino-2,3,6-trimethylphenol hydrochloride
• CAS No.: 10486-47-2
• Molecular Formula: C₉H₁₃NO*ClH
• Molecular Weight: 187.669
• European Community (EC) Number: 234-007-7
• UNII: UHG5D2FX2P
• DSSTox Substance ID: DTXSID2065094
• Mol file: 10486-47-2.mol

Synonyms:4-Amino-2,3,6-trimethylphenol hydrochloride;10486-47-2;Phenol, 4-amino-2,3,6-trimethyl-, hydrochloride;UHG5D2FX2P;EINECS 234-007-7;Phenol, 4-amino-2,3,6-trimethyl-, hydrochloride (1:1);4-amino-2,3,6-trimethylphenol;hydrochloride;UNII-UHG5D2FX2P;SCHEMBL8043442;DTXSID2065094

Chemical Property of 4-Amino-2,3,6-trimethylphenol hydrochloride

Chemical Property:

• Vapor Pressure: 0.00065mmHg at 25°C
• Boiling Point: 299.9°Cat760mmHg
• Flash Point: 135.2°C
• PSA: 46.25000
• Density: g/cm³
• LogP: 3.28280
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 187.0763918
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1O)C)C)N.Cl

Technology Process of 4-Amino-2,3,6-trimethylphenol hydrochloride

There total 3 articles about 4-Amino-2,3,6-trimethylphenol hydrochloride 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: 32.0%

4-(hydroxyimino)-2,3,6-trimethylcyclohexa-2,5-dien-1-one (17302-53-3) → 4-amino-2,3,6-trimethylphenol hydrochloride (10486-47-2)

Guidance literature:

With hydrogenchloride; tin(II) chloride dihdyrate; In dichloromethane; water; at 20 ℃; for 2h;

DOI:10.1016/j.bioorg.2020.104130

Reference yield:

Trimethylhydroquinone (700-13-0) → 4-amino-2,3,6-trimethylphenol hydrochloride (10486-47-2)

Guidance literature:

Multi-step reaction with 3 steps

1: [bis(acetoxy)iodo]benzene / methanol / 1 h / 20 °C

2: hydrogenchloride; hydroxylamine hydrochloride / tetrahydrofuran; water / 48 h / Reflux

3: hydrogenchloride; tin(II) chloride dihdyrate / dichloromethane; water / 2 h / 20 °C

With hydrogenchloride; tin(II) chloride dihdyrate; [bis(acetoxy)iodo]benzene; hydroxylamine hydrochloride; In tetrahydrofuran; methanol; dichloromethane; water;

DOI:10.1016/j.bioorg.2020.104130

Reference yield:

2,3,5-Trimethyl-1,4-benzoquinone (935-92-2) → 4-amino-2,3,6-trimethylphenol hydrochloride (10486-47-2)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; hydroxylamine hydrochloride / tetrahydrofuran; water / 48 h / Reflux

2: hydrogenchloride; tin(II) chloride dihdyrate / dichloromethane; water / 2 h / 20 °C

With hydrogenchloride; tin(II) chloride dihdyrate; hydroxylamine hydrochloride; In tetrahydrofuran; dichloromethane; water;

DOI:10.1016/j.bioorg.2020.104130

upstream raw materials:

4-(hydroxyimino)-2,3,6-trimethylcyclohexa-2,5-dien-1-one

Trimethylhydroquinone

2,3,5-Trimethyl-1,4-benzoquinone

Refernces