Methyl 2-fluoro-4-methylbenzoate

Modify Date: 2025-08-30 15:50:05

Methyl 2-fluoro-4-methylbenzoate Structure
Methyl 2-fluoro-4-methylbenzoate structure
Common Name Methyl 2-fluoro-4-methylbenzoate
CAS Number 74733-29-2 Molecular Weight 168.16500
Density 1.138g/cm3 Boiling Point 226.825ºC at 760 mmHg
Molecular Formula C9H9FO2 Melting Point N/A
MSDS N/A Flash Point 88.537ºC

 Names

Name Methyl 2-fluoro-4-methylbenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.138g/cm3
Boiling Point 226.825ºC at 760 mmHg
Molecular Formula C9H9FO2
Molecular Weight 168.16500
Flash Point 88.537ºC
Exact Mass 168.05900
PSA 26.30000
LogP 1.92070
Index of Refraction 1.491
InChIKey LLOLLEPUQXDZSG-UHFFFAOYSA-N
SMILES COC(=O)c1ccc(C)cc1F
Storage condition 2-8°C

 Synthetic Route

~10%

Methyl 2-fluoro-4-methylbenzoate Structure

Methyl 2-fluoro...

CAS#:74733-29-2

Literature: PFIZER INC.; CAMERON, Kimberly O'Keefe; KRAUSS, Achim Hans-Peter; LEFKER, Bruce Allen; NAIR, Sajiv Krishnan; PRASANNA, Ganesh; RUI, Eugene Yuanjin Patent: WO2010/116270 A1, 2010 ; Location in patent: Page/Page column 55 ; WO 2010/116270 A1

~79%

Methyl 2-fluoro-4-methylbenzoate Structure

Methyl 2-fluoro...

CAS#:74733-29-2

Literature: Wang, Min; Davis, Toni; Gao, Mingzhang; Zheng, Qi-Huang Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 7 p. 1742 - 1747

~%

Methyl 2-fluoro-4-methylbenzoate Structure

Methyl 2-fluoro...

CAS#:74733-29-2

Literature: Yea, Christopher M.; Allan, Christine E.; Ashworth, Doreen M.; Barnett, James; Baxter, Andy J.; Broadbridge, Janice D.; Franklin, Richard J.; Hampton, Sally L.; Hudson, Peter; Horton, John A.; Jenkins, Paul D.; Penson, Andy M.; Pitt, Gary R. W.; Riviere, Pierre; Robson, Peter A.; Rooker, David P.; Semple, Graeme; Sheppard, Andy; Haigh, Robert M.; Roe, Michael B. Journal of Medicinal Chemistry, 2008 , vol. 51, # 24 p. 8124 - 8134

~75%

Methyl 2-fluoro-4-methylbenzoate Structure

Methyl 2-fluoro...

CAS#:74733-29-2

Literature: Ashworth, Doreen; Pitt, Gary R W; Hudson, Peter; Yea, Christopher; Franklin, Richard J; Semple, Graeme; Jenkins, David Paul Patent: US2004/38962 A1, 2004 ;

 Synonyms

2-fluoro-4-methylbenzoic acid methyl ester
methyl-2-fluoro-4-methylbenzoate
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