4-Amino-2-methylphenol

Base Information

• Chemical Name: 4-Amino-2-methylphenol
• CAS No.: 2835-96-3
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2922299090
• European Community (EC) Number: 220-619-1
• UNII: CS8D10SY5L
• DSSTox Substance ID: DTXSID2062662
• Nikkaji Number: J13.764B
• Wikidata: Q27275742
• Metabolomics Workbench ID: 130228
• ChEMBL ID: CHEMBL3092391
• Mol file: 2835-96-3.mol

Synonyms:4-Amino-2-methylphenol;2835-96-3;4-Amino-o-cresol;2635-95-2;Phenol, 4-amino-2-methyl-;p-Amino-o-cresol;5-Amino-2-hydroxytoluene;4-Hydroxy-3-methylaniline;4-Amino-2 methylphenol;o-Cresol, 4-amino-;2-Methyl-4-aminophenol;4-Amino-2-methyl-phenol;2-methyl-p-aminophenol;3-Amino-6-hydroxytoluene;UNII-CS8D10SY5L;CS8D10SY5L;CHEMBL3092391;EINECS 220-619-1;MFCD00007878;4-aminocresol;4llp;5-amino-o-kresol;4-amino-2-cresol;4-amino-ortho-cresol;4amino-2-methylphenol;2-methyl-4-amino phenol;4-azanyl-2-methyl-phenol;3-Methyl-4-hydroxyaniline;4A2MP;SCHEMBL33808;DTXSID2062662;BDBM50532262;AKOS000345095;AC-7841;AM84881;CS-W011187;AS-12245;SY021230;BB 0246793;FT-0634418;FT-0659627;EN300-112638;A818404;A819428;W-107050;Q27275742;4ZE

Chemical Property of 4-Amino-2-methylphenol

Chemical Property:

• Appearance/Colour: beige crystals
• Vapor Pressure: 0.00504mmHg at 25°C
• Melting Point: 174-176 °C(lit.)
• Refractive Index: 1.616
• Boiling Point: 278.817 °C at 760 mmHg
• PKA: 10.57±0.18(Predicted)
• Flash Point: 122.424 °C
• PSA: 46.25000
• Density: 1.157 g/cm³
• LogP: 1.86400
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.7
• 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:

99% ^*data from raw suppliers

4-Amino-o-cresol >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 22-41-43-36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Amino-2-methylphenol

There total 29 articles about 4-Amino-2-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: 99.0%

2-methyl-4-nitrophenol (99-53-6) → 4-amino-2-methylphenol (2835-96-3)

Guidance literature:

2-methyl-4-nitrophenol; With sodium tetrahydroborate; In water; at 20 ℃; for 0.25h;

In water; at 20 ℃;

DOI:10.1039/c8cc02851f

Reference yield: 85.0%

sodium; 4-(4-hydroxy-3-methyl-phenylazo)-benzenesulfonate → 4-amino-2-methylphenol (2835-96-3)

Guidance literature:

With sodium hydroxide; sodium dithionite; In water; for 0.00527778h; microwave irradiation;

Reference yield: 35.0%

1-amino-3-methylbenzene (108-44-1) → 4-amino-2-methylphenol (2835-96-3)

Guidance literature:

With dihydrogen peroxide; antimony pentafluoride; In hydrogen fluoride; at -20 ℃; for 0.25h; Mechanism; Product distribution;

upstream raw materials:

2-methyl-4-nitrophenol

ethanol

1-azido-3-methylbenzene

1-methyl-3-nitrobenzene

Downstream raw materials:

methyl-[1,4]benzoquinone-4-imine

4-acetamido-2-methylphenol

4-iodo-2-methyl-phenol

2-Methyl-1,4-benzoquinone

Refernces

• 1、 Fedorova, Tatyana M.,Derkacheva, Valentina M.,Shevchenko, Ekaterina N.,Luk'yanets, Evgeny A.,Bordaev, Eduard B.,Kaliya, Oleg L.. "Hydroxylation of aromatic amines with dioxygen in photooxidation sensitized by substituted phthalocyanines". . p. 64 - 66. Retrieved 2020/03/03.
• 2、 Benavente, Rocio,Lopez-Tejedor, David,Palomo, Jose M.. "Synthesis of a superparamagnetic ultrathin FeCO3 nanorods-enzyme bionanohybrid as a novel heterogeneous catalyst". supporting information. p. 6256 - 6259. Retrieved 2018/06/22.