METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE

Base Information

• Chemical Name: METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE
• CAS No.: 115933-50-1
• Molecular Formula: C9H7 F3 O3
• Molecular Weight: 220.148
• Hs Code.: 2918290000
• Mol file: 115933-50-1.mol

Synonyms:4-Hydroxy-3-trifluoromethylbenzoicacid methyl ester; Methyl 4-hydroxy-3-(trifluoromethyl)benzoate

Chemical Property of METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE

Chemical Property:

• Melting Point: 167-169 °C
• Boiling Point: 266.1°Cat760mmHg
• PKA: 6.37±0.43(Predicted)
• Flash Point: 114.8°C
• PSA: 46.53000
• Density: 1.382g/cm³
• LogP: 2.19760
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-hydroxy-3-(trifluoromethyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE

There total 7 articles about METHYL 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOATE 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: 95.0%

methanol (67-56-1) + 4-hydroxy-3-(trifluoromethyl)benzoic acid (220239-68-9) → methyl 4-hydroxy-3-(trifluoromethyl)benzoate (115933-50-1)

Guidance literature:

With sulfuric acid;

DOI:10.1021/acs.oprd.5b00038

Reference yield: 21.0%

Langlois reagent (2926-29-6) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → methyl 4-hydroxy-3-(trifluoromethyl)benzoate (115933-50-1)

Guidance literature:

With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate); In water; acetonitrile; at 20 ℃; for 2.5h;

DOI:10.1016/0040-4039(91)80524-A

Reference yield:

C11H11F3O4 → methyl 4-hydroxy-3-(trifluoromethyl)benzoate (115933-50-1)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃; for 0.5h;

upstream raw materials:

Langlois reagent

methyl 4-hydroxylbenzoate

methanol

4-hydroxy-3-(trifluoromethyl)benzoic acid

Downstream raw materials:

methyl 4-((1-methylpiperidin-4-yl)oxy)-3-(trifluoromethyl)benzoate

t-butyl 4-(1-methylpiperidine-4-yloxy)-3-(trifluoromethyl)phenylcarbamate

4-benzyloxy-3-trifluoromethyl benzoic acid

3-(3-chloro-4-hydroxy-5-trifluoromethylbenzoyl)-1,1-dioxo-1,2-dihydro-3H-1,3-benzothiazole

Refernces

• 1、 -. "FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS". Paragraph 00344; 00345. . Retrieved 2015/02/02.
• 2、 -. "THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES". Paragraph 0311-0313. . Retrieved 2013/03/26.