2-Amino-4-methylphenol

Base Information

• Chemical Name: 2-Amino-4-methylphenol
• CAS No.: 95-84-1
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 29222900
• European Community (EC) Number: 202-457-3
• NSC Number: 60737,7630
• UN Number: 2512
• UNII: 9ZV2574SER
• DSSTox Substance ID: DTXSID4024488
• Nikkaji Number: J95.381D
• Wikidata: Q27095299
• Metabolomics Workbench ID: 148977
• ChEMBL ID: CHEMBL224282
• Mol file: 95-84-1.mol

Synonyms:2-amino-4-methylphenol;2-amino-p-cresol

Chemical Property of 2-Amino-4-methylphenol

Chemical Property:

• Appearance/Colour: brown crystals or powder
• Melting Point: 70-73 °C(lit.)
• Refractive Index: 1.5706 (estimate)
• Boiling Point: 239.4 °C at 760 mmHg
• PKA: 10.06±0.18(Predicted)
• Flash Point: 98.6 °C
• PSA: 46.25000
• Density: 1.157 g/cm³
• LogP: 1.86400
• Storage Temp.: Store below +30°C.
• Solubility.: slightly soluble
• Water Solubility.: slightly soluble
• XLogP3: 1.2
• 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:

98% ^*data from raw suppliers

2-Amino-4-methylphenol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amino Phenols
• Canonical SMILES: CC1=CC(=C(C=C1)O)N
• Uses: 2-Amino-4-methylphenol was used in the synthesis of novel functionalized spiropyran derivatives of 2H-1,3-benzoxazinone series.

Technology Process of 2-Amino-4-methylphenol

There total 47 articles about 2-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-2-nitrophenol (119-33-5) → 3-amino-4-hydroxytoluene (95-84-1)

Guidance literature:

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

Reference yield: 41.0%

4-hydroxy-3-nitrobenzaldehyde (3011-34-5) → 3-Amino-4-hydroxybenzyl alcohol (52820-13-0) + 3-amino-4-hydroxytoluene (95-84-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 4h; under 1551.49 Torr;

DOI:10.1016/j.bmc.2012.01.021

Reference yield:

ammonium chloride + acetic acid-(4-methyl-2-phenylazo-phenyl ester) (26054-05-7) → aniline (62-53-3) + 3-amino-4-hydroxytoluene (95-84-1) + 2-acetylamino-p-cresol (6375-17-3)

Guidance literature:

upstream raw materials:

4-methyl-2-nitrophenol

2-bromo-benzoic acid-(2-methoxy-5-methyl-anilide)

phenylhydrazine

2-hydroxy-5-methylazobenzene

Downstream raw materials:

1-(3,5-Bis-trifluoromethyl-phenyl)-3-(2-hydroxy-5-methyl-phenyl)-urea

2-(2-chloro-propionylamino)-4-methyl-phenol

2-(3,4-Dichlorobenzamido)-4-methylphenol

2-{[1-(2,4-Dichloro-phenyl)-meth-(E)-ylidene]-amino}-4-methyl-phenol

Refernces

• 1、 -. "HMOX1 inducers". Page/Page column 88. . Retrieved 2020/09/18.
• 2、 An’, Khoang,Belova, A. V.,Lefedova, O. V.,Nemtseva, M. P.. "Hydrogenation of Substituted Benzenes Containing Nitro and Azo Groups over Skeletal Nickel in Aqueous Solutions of 2-Propanol". . p. 720 - 724. Retrieved 2020/04/24.