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TERT-BUTYL-4-BROMOBENZOATE

CAS No.
59247-47-1
Chemical Name:
TERT-BUTYL-4-BROMOBENZOATE
Synonyms
tert-Butyl p-BroMobenzoate;TERT-BUTYL-4-BROMOBENZOATE;Tert-butyl 4-bromobenzoate?New;4-Bromobenzoic acid tert-butyl ester;4-BroMobenzoic Acid 1,1-DiMethylethyl Ester;Benzoic acid, 4-broMo-, 1,1-diMethylethyl ester
CBNumber:
CB6774796
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.12
MDL Number:
MFCD00093266
MOL File:
59247-47-1.mol
MSDS File:
SDS
Last updated:2025-07-24 18:13:51

TERT-BUTYL-4-BROMOBENZOATE Properties

Boiling point 91-92 °C(Press: 1.2 Torr)
Density 1.331±0.06 g/cm3(Predicted)
storage temp. Keep in dark place,Sealed in dry,Room Temperature
form liquid
color Colourless to light yellow
InChI InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKey BFJJYXUCGYOXDM-UHFFFAOYSA-N
SMILES C(OC(C)(C)C)(=O)C1=CC=C(Br)C=C1

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code  2916399090

TERT-BUTYL-4-BROMOBENZOATE price More Price(29)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TRC B690695 tert-Butyl4-Bromobenzoate 59247-47-1 25g $1230 2021-12-16 Buy
American Custom Chemicals Corporation HCH0027225 TERT-BUTYL 4-BROMOBENZOATE 95.00% 59247-47-1 25G $2333.1 2021-12-16 Buy
Biosynth Carbosynth FB19441 tert-Butyl 4-bromobenzoate 59247-47-1 25g $600 2021-12-16 Buy
Apolloscientific OR313102 tert-Butyl4-bromobenzoate 59247-47-1 25g $675 2021-12-16 Buy
American Custom Chemicals Corporation HCH0027225 TERT-BUTYL 4-BROMOBENZOATE 95.00% 59247-47-1 2.5G $869 2021-12-16 Buy
Product number Packaging Price Buy
B690695 25g $1230 Buy
HCH0027225 25G $2333.1 Buy
FB19441 25g $600 Buy
OR313102 25g $675 Buy
HCH0027225 2.5G $869 Buy

TERT-BUTYL-4-BROMOBENZOATE Chemical Properties,Uses,Production

Uses

4-bromo substituted benzoic acid derivative, tert-Butyl-4-broMobenzoate can be used as a building block for the synthesis of various biologically active compounds.

Synthesis

Potassium tert-butoxide

865-47-4

4-Bromobenzoyl chloride

586-75-4

TERT-BUTYL-4-BROMOBENZOATE

59247-47-1

At -78 °C, 4-bromobenzoyl chloride (25.08 g, 114 mmol) was dissolved in THF (120 mL) and a THF solution of potassium tert-butanolate (1 M, 120 mL, 120 mmol) was slowly added. The reaction mixture was stirred at -78 °C and gradually warmed to room temperature for 2 hours. After completion of the reaction, the reaction mixture was diluted with ether. The organic phase was washed sequentially with saturated NaHCO3 solution (2×) and brine (1×) and then dried with anhydrous MgSO4. The desiccant was removed by filtration and the filtrate was concentrated under reduced pressure. The crude product was purified by fast column chromatography on silica gel, the eluent being a hexane solution of 5% ethyl acetate to give tert-butyl 4-bromobenzoate (27.96 g, 95% yield) as a colorless oil.1H NMR (600 MHz, CDCl3) δ 7.84 (d, J = 8.5 Hz, 2H), 7.54 (d, J = 8.5 Hz, 2H), 1.59 (s 9H); ESIMS calculated value 257.0 (M + + H), measured value 257.1 (M + + H).

References

[1] RSC Advances, 2016, vol. 6, # 22, p. 18165 - 18177
[2] Journal of Organic Chemistry, 2000, vol. 65, # 17, p. 5428 - 5430
[3] Patent: WO2007/2248, 2007, A2. Location in patent: Page/Page column 72-73
[4] Organic Process Research and Development, 2012, vol. 16, # 11, p. 1832 - 1845
[5] Journal of the American Chemical Society, 2016, vol. 138, # 32, p. 10293 - 10298

Global( 167)Suppliers
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Henan Fengda Chemical Co., Ltd
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View Lastest Price from TERT-BUTYL-4-BROMOBENZOATE manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
TERT-BUTYL-4-BROMOBENZOATE pictures 2025-07-25 TERT-BUTYL-4-BROMOBENZOATE
59247-47-1
US $0.00 / kg 1kg 99% 10000KGS Shaanxi Dideu New Materials Co. Ltd
TERT-BUTYL-4-BROMOBENZOATE pictures 2024-04-23 TERT-BUTYL-4-BROMOBENZOATE
59247-47-1
US $8.00-6.00 / kg 1kg 99% g-kg-tons, free sample is available Henan Fengda Chemical Co., Ltd
TERT-BUTYL-4-BROMOBENZOATE pictures 2020-01-03 TERT-BUTYL-4-BROMOBENZOATE
59247-47-1
US $1.00 / KG 1KG 99% 100KG Career Henan Chemical Co

TERT-BUTYL-4-BROMOBENZOATE Spectrum

TERT-BUTYL-4-BROMOBENZOATE 4-Bromobenzoic acid tert-butyl ester Benzoic acid, 4-broMo-, 1,1-diMethylethyl ester 4-BroMobenzoic Acid 1,1-DiMethylethyl Ester tert-Butyl p-BroMobenzoate Tert-butyl 4-bromobenzoate?New 59247-47-1 Aryl Ester Organohalides Aromatics Intermediates & Fine Chemicals Pharmaceuticals