3-Amino-5-methylphenol

Base Information

• Chemical Name: 3-Amino-5-methylphenol
• CAS No.: 76619-89-1
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2922299090
• European Community (EC) Number: 278-502-6
• DSSTox Substance ID: DTXSID30997954
• Nikkaji Number: J9.993G
• Wikidata: Q72439835
• Mol file: 76619-89-1.mol

Synonyms:3-amino-5-methylphenol;76619-89-1;3-AMINO-5-METHYL PHENOL;5-Amino-m-cresol;3-hydroxy-5-methyl-aniline;Phenol, 3-amino-5-methyl-;EINECS 278-502-6;3-Oxy-5-aminotoluol;5-amino-3-methylphenol;3-Amino-5-hydroxytoluene;3-hydroxy-5-methyl aniline;3A5MP;SCHEMBL94731;DTXSID30997954;NCUABBHFJSFKOJ-UHFFFAOYSA-N;BCP32379;MFCD00086326;AKOS006271852;AM85905;CS-W018778;MB00602;AC-28497;DS-12912;FT-0650599;EN300-113503;A852526;J-511653;Z1198150375

Chemical Property of 3-Amino-5-methylphenol

Chemical Property:

• Vapor Pressure: 0.00213mmHg at 25°C
• Melting Point: 139°C
• Refractive Index: 1.616
• Boiling Point: 281.1 °C at 760 mmHg
• PKA: 10.13±0.10(Predicted)
• Flash Point: 123.8 °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:

99% ^*data from raw suppliers

3-Amino-5-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Amino-5-methylphenol

There total 6 articles about 3-Amino-5-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: 75.0%

orcinol (504-15-4) → 3-amino-5-methylphenol (76619-89-1)

Guidance literature:

With ammonium hydroxide; ammonium chloride; at 180 ℃;

DOI:10.1016/S0040-4039(00)60664-0

Reference yield: 65.0%

5-methylcyclohexan-1,3-dione (4341-24-6) → 3-amino-5-methylphenol (76619-89-1)

Guidance literature:

With ethene; 5%-palladium/activated carbon; ammonium acetate; In 5,5-dimethyl-1,3-cyclohexadiene; at 150 ℃; for 6h; under 760.051 Torr; Schlenk technique; Molecular sieve;

DOI:10.1021/acs.orglett.0c04056

Reference yield: 58.0%

5-methylcyclohexan-1,3-dione (4341-24-6) → orcinol (504-15-4) + 3-amino-5-methylphenol (76619-89-1)

Guidance literature:

With ethene; 5%-palladium/activated carbon; ammonium acetate; In 5,5-dimethyl-1,3-cyclohexadiene; at 150 ℃; for 6h; under 760.051 Torr; Schlenk technique; Molecular sieve;

DOI:10.1021/acs.orglett.0c04056

upstream raw materials:

orcinol

3-methyl-5-nitrophenol

3,5-dinitrotoluene

3-methyl-5-nitro-aniline

Downstream raw materials:

N-(tert-butyloxy-carbonyl)-3-hydroxy-5-methyl-aniline

3-(4-chlorobenzyl)-5-hydroxy-4,7-dimethyl-1H-quinolin-2-one

3-(4-chlorobenzyl)-2,4,7-trimethylquinolin-5-ol

N-(3-hydroxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide

Refernces

Trifluoromethylaminosalicylic Acids and Related Reactions

10.1021/ja01613a076

The study explores the carboxylation of various trifluoromethylphenol derivatives and related compounds under anhydrous conditions, focusing on the conversion of CF3 groups to COOH groups. Key chemicals involved include m-trifluoromethylphenol, 5-trifluoromethylresorcinol, 5-amino-3-trifluoromethylphenol, and carbon dioxide, with potassium carbonate acting as a base to facilitate the carboxylation reactions. The study reports the formation of specific isomers such as 4-trifluoromethylsalicylic acid and 6-amino-4-trifluoromethylsalicylic acid, and investigates the carboxylation of 5-amino-3-methylphenol, revealing that the product is 6-amino-4-methylsalicylic acid, contrary to previous assumptions. Additionally, the study examines the coupling of 4-trifluoromethylsalicylic acid with diazotized m-nitroaniline to form a dye, which upon reduction yields 5-amino-4-trifluoromethylsalicylic acid. The study also delves into the oxidation of ketones to esters using peroxytrifluoroacetic acid, highlighting its efficiency in converting ketones to esters with high yields, particularly noting the successful oxidation of methyl cyclopropyl ketone to cyclopropyl acetate.

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