2-Amino-3-methylphenol

Base Information

• Chemical Name: 2-Amino-3-methylphenol
• CAS No.: 2835-97-4
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 29222990
• European Community (EC) Number: 626-060-3
• UNII: E4Y5YL4FTG
• DSSTox Substance ID: DTXSID7049261
• Nikkaji Number: J13.776F
• Wikidata: Q72439837
• ChEMBL ID: CHEMBL3184934
• Mol file: 2835-97-4.mol

Synonyms:2-hydroxylamino-3-methylpyridine;2A3MP

Chemical Property of 2-Amino-3-methylphenol

Chemical Property:

• Vapor Pressure: 0.00023mmHg at 25°C
• Melting Point: 149-152 °C(lit.)
• Refractive Index: 1.688
• Boiling Point: 240 °C at 760 mmHg
• PKA: 9.87±0.10(Predicted)
• Flash Point: 98.9 °C
• PSA: 46.25000
• Density: 1.157 g/cm³
• LogP: 1.86400
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%, ^*data from raw suppliers

2-Amino-m-cresol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)O)N
• Uses: 2-Amino-3-methylphenol was used in the preparation of Schiff base ligands.

Technology Process of 2-Amino-3-methylphenol

There total 11 articles about 2-Amino-3-methylphenol 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%

3-methyl-2-nitrophenol (4920-77-8) → 2-amino-3-methylphenol (2835-97-4)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 23 ℃; for 5h;

Reference yield:

O-(3-methylphenyl)hydroxylamine (74993-52-5) → 2-amino-3-methylphenol (2835-97-4) + 2-methylbenzene-1,4-diol (95-71-6,96937-50-7) + 2-Hydroxy-4-methylanilin (2835-98-5) + 4-methyl-1,2-dihydroxybenzene (452-86-8) + 3-methylbenzene-1,2-diol (488-17-5)

Guidance literature:

With trifluoroacetic acid; at 50 ℃; for 4h; Rate constant; Kinetics; Thermodynamic data; ΔH(excit.), ΔG(excit.), ΔS(excit.);

DOI:10.1021/ja00051a012

Reference yield:

→ 2-amino-3-methylphenol (2835-97-4)

Guidance literature:

With ammonia; at 130 - 140 ℃;

upstream raw materials:

3-methyl-2-nitrophenol

O-(3-methylphenyl)hydroxylamine

1-azido-2-methyl-benzene

4-methyl-3H-benzooxazol-2-one

Downstream raw materials:

2-(5-methyl-2,4-dinitro-anilino)-3-methyl-phenol

2-bromo-3-methylphenol

2-chloro-m-cresol

5-Chlor-2,4-dinitro-6,6'-dimethyl-2'-hydroxy-diphenylamin

Refernces

• 1、 -. "Ramoplanin derivatives possessing antibacterial activity". Page/Page column 68. . Retrieved 2010/11/23.
• 2、 Haga, Naoki,Endo, Yasuyuki,Kataoka, Ken-Ichiro,Yamaguchi, Kentaro,Shudo, Koichi. "Acid-catalyzed amino-migration of O-phenylhydroxylamines". . p. 9795 - 9806. Retrieved 2007/10/02.