2-Amino-4,5-dimethylphenol

Base Information

• Chemical Name: 2-Amino-4,5-dimethylphenol
• CAS No.: 6623-41-2
• Molecular Formula: C8H11 N O
• Molecular Weight: 137.181
• Hs Code.: 2922299090
• European Community (EC) Number: 229-578-4
• NSC Number: 54925
• UNII: 6076375ZIF
• DSSTox Substance ID: DTXSID4064422
• Nikkaji Number: J31.045J
• Wikidata: Q27263185
• Mol file: 6623-41-2.mol

Synonyms:2-Amino-4,5-dimethylphenol;6623-41-2;4,5-Dimethyl-2-aminophenol;Phenol, 2-amino-4,5-dimethyl-;2-Amino-4,5-xylenol;3,4-Xylenol, 6-amino-;4,5-Dimethyl-2-hydroxyaniline;4,5-Xylenol, 2-amino-;EINECS 229-578-4;NSC 54925;BRN 1072207;UNII-6076375ZIF;NSC-54925;6076375ZIF;4-13-00-01842 (Beilstein Handbook Reference);2-Amino-4,5-dimethyl-phenol;NSC54925;3, 6-amino-;Oprea1_114060;Oprea1_177465;2-amino-4,5-dimethylphenol;WLN: ZR BQ D1 E1;SCHEMBL2955553;DTXSID4064422;HMS1673M15;BBL009518;MFCD00186226;STL119856;AKOS000111352;CCG-304143;4-AMINO-5-HYDROXY-1,2-XYLENE;2-Amino-4,5-dimethylphenol, AldrichCPR;TS-01772;LS-162621;BB 0237366;CS-0280346;FT-0676724;1-AMINO-2-HYDROXY-4,5-DIMETHYLBENZENE;EN300-345095;A867503;AC-907/25014216;Q27263185;3-Thienylpropanedioic acid (The intermediate of Ticarcillin & Temocillin)

Chemical Property of 2-Amino-4,5-dimethylphenol

Chemical Property:

• Vapor Pressure: 0.00856mmHg at 25°C
• Melting Point: 174°C
• Refractive Index: 1.5360 (estimate)
• Boiling Point: 258.3 °C at 760 mmHg
• PKA: 10.18±0.23(Predicted)
• Flash Point: 110 °C
• PSA: 46.25000
• Density: 1.118 g/cm³
• LogP: 2.17240
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4,5-dimethylphenol Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)O)N

Technology Process of 2-Amino-4,5-dimethylphenol

There total 20 articles about 2-Amino-4,5-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: 100.0%

4,5-dimethyl-2-nitrophenol (18087-10-0) → 2-amino-4,5-dimethylphenol (6623-41-2)

Guidance literature:

With hydrogen; In ethanol; at 60 ℃; for 2h; under 7500.75 Torr;

Reference yield:

3,4-Dimethylphenol (95-65-8) → 2-amino-4,5-dimethylphenol (6623-41-2)

Guidance literature:

Multi-step reaction with 4 steps

1: pyridine / 1 h

2: conc. HNO₃, conc. H₂SO₄ / a) from 0 deg C to RT, 1 h, b) 50 deg C, 20 min

3: 2 M NaOH / methanol / 1 h / Heating

4: H₂ / 10percent Pd/C / ethanol / 3 h / 760 Torr

With pyridine; sodium hydroxide; sulfuric acid; hydrogen; nitric acid; palladium on activated charcoal; In methanol; ethanol;

DOI:10.1055/s-1997-1290

Reference yield:

3,4-dimethylphenyl benzoate (3845-63-4) → 2-amino-4,5-dimethylphenol (6623-41-2)

Guidance literature:

Multi-step reaction with 3 steps

1: conc. HNO₃, conc. H₂SO₄ / a) from 0 deg C to RT, 1 h, b) 50 deg C, 20 min

2: 2 M NaOH / methanol / 1 h / Heating

3: H₂ / 10percent Pd/C / ethanol / 3 h / 760 Torr

With sodium hydroxide; sulfuric acid; hydrogen; nitric acid; palladium on activated charcoal; In methanol; ethanol;

DOI:10.1055/s-1997-1290

upstream raw materials:

3,4-Dimethylphenol

4-sulfobenzenediazonium

formaldehyd

2-nitro-5-methylphenol

Downstream raw materials:

4,5-Dimethyl-2-piperidino-phenol

N-(2-hydroxy-4,5-dimethylphenyl)acetamide

2-acetamido-4,5-dimethylphenyl acetate

1-(4-Chloro-phenyl)-3-(2-hydroxy-4,5-dimethyl-phenyl)-urea