3-Amino-4-methylphenol

Base Information

• Chemical Name: 3-Amino-4-methylphenol
• CAS No.: 2836-00-2
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2922290090
• European Community (EC) Number: 220-622-8
• UN Number: 2512
• DSSTox Substance ID: DTXSID3074860
• Nikkaji Number: J13.737E
• Wikidata: Q72439844
• Mol file: 2836-00-2.mol

Synonyms:3-AMINO-4-METHYLPHENOL;2836-00-2;2-Amino-4-hydroxytoluene;3-Amino-p-cresol;Phenol, 3-amino-4-methyl-;p-Cresol, 3-amino-;5-hydroxy-2-methylaniline;EINECS 220-622-8;MFCD00075083;3-Amino-4-methyl-phenol;3-Amino-p-kresol;SCHEMBL63944;DTXSID3074860;AKOS006228569;AC-3749;AM61883;CS-W005693;PS-5952;FT-0634513;A19645;EN300-117785;W-109828;F8885-5433

Chemical Property of 3-Amino-4-methylphenol

Chemical Property:

• Appearance/Colour: crystals
• Vapor Pressure: 0.00328mmHg at 25°C
• Melting Point: 156-157 °C
• Refractive Index: 1.616
• Boiling Point: 274.14 °C at 760 mmHg
• PKA: 10.32±0.18(Predicted)
• Flash Point: 119.596 °C
• PSA: 46.25000
• Density: 1.157 g/cm³
• LogP: 1.86400
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.5
• 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
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-4-methylphenol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amino Phenols
• Canonical SMILES: CC1=C(C=C(C=C1)O)N

Technology Process of 3-Amino-4-methylphenol

There total 11 articles about 3-Amino-4-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%

4-methyl-5-nitrophenol (2042-14-0) → 3-amino-4-methylphenol (2836-00-2)

Guidance literature:

With 10% palladium on activated charcoal; hydrogen; In ethanol; at 20 ℃;

DOI:10.1016/j.bmcl.2010.11.030

Reference yield: 73.0%

3-ethylamino-4-methylphenol (120-37-6) → 3-amino-4-methylphenol (2836-00-2)

Guidance literature:

With piperidine; dichloro(dimethylglyoxime)(dimethylglyoximato)cobalt(III); (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; In acetonitrile; at -78 ℃; for 24h; Reagent/catalyst; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1002/anie.202100051

Reference yield: 64.0%

5-methoxy-o-toluidine (50868-72-9) → 3-amino-4-methylphenol (2836-00-2)

Guidance literature:

With hydrogen bromide; acetic acid; In water; at 110 ℃; for 5h;

upstream raw materials:

4-methyl-5-nitrophenol

N-(5-amino-2-methylphenyl)acetamide

o-toluidine

hydrogenchloride

Downstream raw materials:

4-amino-2-hydroxy-5-methyl-benzoic acid

4-methoxyanthranilic acid

Refernces

• 1、 -. "NEAR-INFRARED NERVE-SPARING FLUOROPHORES". Page/Page column 99. . Retrieved 2020/02/17.
• 2、 -. "PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT". Paragraph 704-708. . Retrieved 2018/12/02.