(4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine

Base Information

• Chemical Name: (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine
• CAS No.: 30749-78-1
• Molecular Formula: C13H12 N2 O2
• Molecular Weight: 228.25
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID10952965
• Wikidata: Q82931703
• Mol file: 30749-78-1.mol

Synonyms:(4'-hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine;5-AHIMC;5-amino-(4-(4-hydroxyphenyl)imino)-2-methyl-2,5-cyclohexadien-1-one

Chemical Property of (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine

Chemical Property:

• Vapor Pressure: 9.1E-09mmHg at 25°C
• Boiling Point: 451.4°Cat760mmHg
• Flash Point: 226.8°C
• PSA: 87.17000
• Density: 1.32g/cm³
• LogP: 2.41080
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 228.089877630
• Heavy Atom Count: 17
• Complexity: 427

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C(=C(C1=N)C2=CC=C(C=C2)O)N

Technology Process of (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine

There total 3 articles about (4'-Hydroxyphenyl)-3-amino-6-methylbenzoquinoneimine 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: 98.0%

amino-4 hydroxy-2 toluene (2835-95-2) + 4-amino-phenol (123-30-8) → N-<-(4'-Hydroxy)-phenyl>-3-amino-6-methyl-benzochinon (30749-78-1)

Guidance literature:

With CotA-laccase from Bacillus subtilis; oxygen; In aq. phosphate buffer; ethanol; at 37 ℃; for 24h; pH=7; Green chemistry; Enzymatic reaction;

DOI:10.1039/c6gc02050j

Reference yield:

→ N-<-(4'-Hydroxy)-phenyl>-3-amino-6-methyl-benzochinon (30749-78-1)

Guidance literature:

Methode A: 1) p-Aminophenol, NaOH, 3-Amino-6-methylphenol, O2; 2) HCl;

Reference yield:

→ 5-Amino-4-[(Z)-4-hydroxy-phenylimino]-2-methyl-cyclohexa-2,5-dienone (30749-78-1)

Guidance literature:

p-Aminophenol, 6-Methyl-m-aminophenol;

upstream raw materials:

amino-4 hydroxy-2 toluene

4-amino-phenol

Refernces