Tert-butyl 4-fluorobenzoate

Base Information

Chemical Name:Tert-butyl 4-fluorobenzoate
CAS No.:58656-98-7
Molecular Formula:11H13FO2
Molecular Weight:196.221
Hs Code.:2916399090
European Community (EC) Number:691-014-1
DSSTox Substance ID:DTXSID80371366
Nikkaji Number:J570.263A
Wikidata:Q82158670
Mol file:58656-98-7.mol

Synonyms:tert-butyl 4-fluorobenzoate;58656-98-7;t-Butyl 4-fluorobenzoate;Benzoic acid, 4-fluoro-, 1,1-dimethylethyl ester;MFCD01320759;4-fluorobenzoic acid tert-butyl ester;t-butyl-4-fluorobenzoate;tert-Butyl4-Fluorobenzoate;tert-Butyl p-fluorobenzoate;SCHEMBL210873;DTXSID80371366;ZZLARVGXLOCKHG-UHFFFAOYSA-N;TERT-BUTYL-4-FLUOROBENZOATE;BBL100359;STL554153;AKOS009158064;CS-W023011;PS-8269;SY030634;FT-0676144;EN300-156211;F14526;Z1160860795

Suppliers and Price of Tert-butyl 4-fluorobenzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
T-Butyl4-fluorobenzoate
500mg
$ 65.00

SynQuest Laboratories
t-Butyl 4-fluorobenzoate 97%
25 g
$ 75.00

SynQuest Laboratories
t-Butyl 4-fluorobenzoate 97%
5 g
$ 25.00

Matrix Scientific
t-Butyl 4-fluorobenzoate 96%
5g
$ 27.00

Matrix Scientific
t-Butyl 4-fluorobenzoate 96%
25g
$ 85.00

Matrix Scientific
t-Butyl 4-fluorobenzoate 96%
100g
$ 292.00

Crysdot
tert-Butyl4-fluorobenzoate 98%
100g
$ 188.00

Atlantic Research Chemicals
tert-Butyl4-Fluorobenzoate 95%
10gm:
$ 130.78

Apolloscientific
tert-Butyl4-fluorobenzoate 97%
1g
$ 10.00

American Custom Chemicals Corporation
T-BUTYL 4-FLUOROBENZOATE 95.00%
25G
$ 1289.81

Total 23 raw suppliers

Chemical Property of Tert-butyl 4-fluorobenzoate

Chemical Property:

Vapor Pressure:0.0464mmHg at 25°C
Boiling Point:51-52/0.4mm
Flash Point:94.3°C
PSA：26.30000
Density:1.083g/cm³
LogP:2.78100
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:196.08995782
Heavy Atom Count:14
Complexity:200

Purity/Quality:

99%, ^*data from raw suppliers

T-Butyl4-fluorobenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 4-fluorobenzoate

There total 12 articles about Tert-butyl 4-fluorobenzoate 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: 88.0%

: 75-91-2
tert.-butylhydroperoxide

: 459-22-3
4-fluorophenylacetonitrile

: 58656-98-7
tert-butyl 4-fluorobenzoate

Guidance literature:: With Zr₆(μ₃-O)₄(μ₃-OH)₄(OH)₆(H₂O)₆(IDA)₃; potassium hydroxide; In acetonitrile; at 80 ℃; for 10h;
DOI:10.1002/cplu.201900349

Reference yield: 83.0%

: 540-80-7
tert.-butylnitrite

: 456-03-1
1-(4-fluorophenyl)propan-1-one

: 58656-98-7
tert-butyl 4-fluorobenzoate

Guidance literature:: 1-(4-fluorophenyl)propan-1-one; With potassium hexamethylsilazane; In tetrahydrofuran; at -78 ℃; for 0.25h; Inert atmosphere; Schlenk technique;

tert.-butylnitrite; In tetrahydrofuran; at -78 - -20 ℃; for 5h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.joc.1c01169

Reference yield: 79.0%

: 24424-99-5
di-tert-butyl dicarbonate

: 460-00-4
1-Bromo-4-fluorobenzene

: 58656-98-7
tert-butyl 4-fluorobenzoate

Guidance literature:: 1-Bromo-4-fluorobenzene; With magnesium; lithium chloride; In tetrahydrofuran; at 50 ℃; for 0.0166667h; Flow reactor;

di-tert-butyl dicarbonate; In tetrahydrofuran; at 20 ℃; for 0.333333h; Flow reactor;
DOI:10.1021/acs.orglett.7b01590