Tert-butyl 4-fluoro-3-methylbenzoate

Base Information

• Chemical Name: Tert-butyl 4-fluoro-3-methylbenzoate
• CAS No.: 171050-00-3
• Molecular Formula: C12H15FO2
• Molecular Weight: 210.248
• European Community (EC) Number: 967-235-7
• Mol file: 171050-00-3.mol

Synonyms:tert-butyl 4-fluoro-3-methylbenzoate;171050-00-3;SCHEMBL4024106;IMOHPVDDNISLPY-UHFFFAOYSA-N;tert-butyl4-fluoro-3-methylbenzoate;MFCD12912108;AKOS013152655;FT-0730891;4-Fluoro-3-methylbenzoic acid tert-butyl ester;EN300-7409885

Chemical Property of Tert-butyl 4-fluoro-3-methylbenzoate

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 210.10560788
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl4-fluoro-3-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)OC(C)(C)C)F

Technology Process of Tert-butyl 4-fluoro-3-methylbenzoate

There total 6 articles about Tert-butyl 4-fluoro-3-methylbenzoate 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: 94.0%

di-ten-butyl dicarbonate + (4-fluoro-3-methyl)phenylmagnesium bromide (82297-89-0) → 4-fluoro-3-methylbenzoic acid tert-butyl ester (171050-00-3)

Guidance literature:

In tetrahydrofuran; diethyl ether;

Reference yield: 94.0%

4-fluoro-3-methyl-benzoic acid (403-15-6) + isobutene (115-11-7,15220-85-6) → 4-fluoro-3-methylbenzoic acid tert-butyl ester (171050-00-3)

Guidance literature:

With trifluorormethanesulfonic acid; In diethyl ether; at -78 ℃; to room temperature;

DOI:10.1016/0040-4039(95)02054-3

Reference yield: 94.0%

di-tert-butyl dicarbonate (24424-99-5) + (4-fluoro-3-methyl)phenylmagnesium bromide (82297-89-0) → 4-fluoro-3-methylbenzoic acid tert-butyl ester (171050-00-3)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃; for 4.25h;

DOI:10.1021/jm020050+

upstream raw materials:

4-fluoro-3-methyl-benzoic acid

isobutene

di-tert-butyl dicarbonate

(4-fluoro-3-methyl)phenylmagnesium bromide

Downstream raw materials:

tert-butyl-4-fluoro-3(alpha-bromomethyl)benzoate

tert-butyl 4-fluoro-3-(methylaminomethyl)benzoate

3-methyl-4-phenoxybenzoic acid

tert-butyl 4-fluoro-3-(benzylaminomethyl)benzoate

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