tert-butyl 4-fluoro-3-nitrobenzoate

Modify Date: 2025-08-25 16:27:54

tert-butyl 4-fluoro-3-nitrobenzoate Structure
tert-butyl 4-fluoro-3-nitrobenzoate structure
Common Name tert-butyl 4-fluoro-3-nitrobenzoate
CAS Number 579514-75-3 Molecular Weight 241.21600
Density N/A Boiling Point N/A
Molecular Formula C11H12FNO4 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name tert-butyl 4-fluoro-3-nitrobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C11H12FNO4
Molecular Weight 241.21600
Exact Mass 241.07500
PSA 72.12000
LogP 3.21240
InChIKey QWDYAIDDFCNTKJ-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)c1ccc(F)c([N+](=O)[O-])c1

 Synthetic Route

~65%

tert-butyl 4-fluoro-3-nitrobenzoate Structure

tert-butyl 4-fl...

CAS#:579514-75-3

Literature: BAYER HEALTHCARE AG Patent: WO2005/28451 A1, 2005 ; Location in patent: Page/Page column 28 ;

~49%

tert-butyl 4-fluoro-3-nitrobenzoate Structure

tert-butyl 4-fl...

CAS#:579514-75-3

Literature: CURIS, INC. Patent: WO2009/36051 A1, 2009 ; Location in patent: Page/Page column 57 ; WO 2009/036051 A1

~15%

tert-butyl 4-fluoro-3-nitrobenzoate Structure

tert-butyl 4-fl...

CAS#:579514-75-3

Literature: ARRAY BIOPHARMA INC. Patent: WO2009/158426 A1, 2009 ; Location in patent: Page/Page column 110 ; WO 2009/158426 A1

~%

tert-butyl 4-fluoro-3-nitrobenzoate Structure

tert-butyl 4-fl...

CAS#:579514-75-3

Literature: Kim, Jonghoon; Lee, Won Seok; Koo, Jaeyoung; Lee, Jeongae; Park, Seung Bum ACS Combinatorial Science, 2014 , vol. 16, # 1 p. 24 - 32

 Synonyms

4-fluoro-3-nitrobenzoic acid tert-butyl ester
Benzoic acid,4-fluoro-3-nitro-,1,1-dimethylethyl ester
1,1-dimethylethyl 4-fluoro-3-nitrobenzoate
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