3-HYDROXY-5-METHYL-BENZOIC ACID

Base Information

• Chemical Name: 3-HYDROXY-5-METHYL-BENZOIC ACID
• CAS No.: 585-81-9
• Molecular Formula: C8H8O3
• Molecular Weight: 152.15
• Hs Code.: 2918290000
• Mol file: 585-81-9.mol

Synonyms:3,5-Cresoticacid (8CI);3-Hydroxy-5-methylbenzoic acid;5-Hydroxy-m-toluic acid;NSC 28456;

Chemical Property of 3-HYDROXY-5-METHYL-BENZOIC ACID

Chemical Property:

• Vapor Pressure: 1.58E-05mmHg at 25°C
• Melting Point: 210°C
• Refractive Index: 1.599
• Boiling Point: 351 °C at 760 mmHg
• PKA: 4.15±0.10(Predicted)
• Flash Point: 180.3 °C
• PSA: 57.53000
• Density: 1.304 g/cm³
• LogP: 1.39880
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

3-Hydroxy-5-methylbenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3,5-Cresotic Acid is a reactant used in the preparation of trisubstituted benzenes as thrombin inhibitors for the treatment of coagulation disorders.

Technology Process of 3-HYDROXY-5-METHYL-BENZOIC ACID

There total 15 articles about 3-HYDROXY-5-METHYL-BENZOIC ACID 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-hydroxy-5-methylbenzoic acid (585-81-9)

Guidance literature:

With water; sodium carbonate; for 1h; Reflux;

With (R,R)-N,N'-dimethyl-1,2-diaminocyclohexane; copper(ll) bromide; Reflux;

Reference yield:

ethyl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydro-2-furancarboxylate (23127-85-7) → ethyl 3-hydroxy-5-methylbenzoate (1126430-75-8) + 3-hydroxy-5-methylbenzoic acid (585-81-9)

Guidance literature:

ethyl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydro-2-furancarboxylate; With water; magnesium oxide; at 80 ℃; for 2h;

With hydrogenchloride; In water; pH=5;

Reference yield:

pyrenochaetic acid B (79214-48-5) → 3-hydroxy-5-methylbenzoic acid (585-81-9)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine

2: H₂ / PtO₂ / aq. ethanol / 2 h

3: 50percent aq. KOH / 0.5 h

With pyridine; potassium hydroxide; hydrogen; platinum(IV) oxide; In ethanol;

upstream raw materials:

6-methyl-pyran-2,4-dione

acetylenedicarboxylic acid diethyl ester

2-hydroxy-6-methyl-terephthalic acid

3-amino-5-methylbenzoic acid

Downstream raw materials:

3-methoxy-5-methylbenzoic acid

benzyl 3-benzyloxy-5-methylbenzoate

3-hydroxy-5-methyl-benzoic acid benzyl ester

3-(3-hydroxy-propoxy)-5-methyl-benzoic acid benzyl ester

Refernces

• 1、 -. "THIAZOLE AND OXAZOLE KINASE INHIBITORS". Page/Page column 136. . Retrieved 2009/04/25.
• 2、 Sato, Hiroji,Konoma, Keiichi,Sakamura, Sadao. "Three New Phytotoxins Produced by Pyrenochaeta terrestris: Pyrenochaetic Acids A, B and C". . p. 1675 - 1680. Retrieved 2007/10/02.