ChemicalBook > CAS DataBase List > TERT-BUTYL-4-BROMOBENZOATE

TERT-BUTYL-4-BROMOBENZOATE

Product Name
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
Formula Weight
257.12
MOL File
59247-47-1.mol
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TERT-BUTYL-4-BROMOBENZOATE Property

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
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Safety

HS Code 
2916399090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TRC
Product number
B690695
Product name
tert-Butyl4-Bromobenzoate
Packaging
25g
Price
$1230
Updated
2021/12/16
AK Scientific
Product number
J98004
Product name
tert-Butyl4-bromobenzoate
Packaging
1g
Price
$18
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB19441
Product name
tert-Butyl 4-bromobenzoate
Packaging
1g
Price
$70
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB19441
Product name
tert-Butyl 4-bromobenzoate
Packaging
2g
Price
$112
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB19441
Product name
tert-Butyl 4-bromobenzoate
Packaging
5G
Price
$175
Updated
2021/12/16
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TERT-BUTYL-4-BROMOBENZOATE Chemical Properties,Usage,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

865-47-4

586-75-4

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

TERT-BUTYL-4-BROMOBENZOATE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from TERT-BUTYL-4-BROMOBENZOATE manufacturers

Shaanxi Dideu New Materials Co. Ltd
Product
TERT-BUTYL-4-BROMOBENZOATE 59247-47-1
Price
US $0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
10000KGS
Release date
2025-05-23
Henan Fengda Chemical Co., Ltd
Product
TERT-BUTYL-4-BROMOBENZOATE 59247-47-1
Price
US $8.00-6.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2024-04-23
Career Henan Chemical Co
Product
TERT-BUTYL-4-BROMOBENZOATE 59247-47-1
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
100KG
Release date
2020-01-02

59247-47-1, TERT-BUTYL-4-BROMOBENZOATERelated Search:

4-Bromobenzoic acid TERT BUTYL 4-OXOBUTANOATE TERT-BUTYL 4-AMINO-4-CYANOPIPERIDINE-1-CARBOXYLATE tert-Butyl 4-iodopyrazole-1-carboxylate TERT-BUTYL 4-AMINO-2-FLUOROBENZOATE Tert-Butyl (1-Methyl-3-(Trifluoromethyl)-1H-Pyrazol-4-Yl)Carbamate(WX619102) (6-amino-pyridin-3-ylmethyl)-carbamic acid tert-butyl ester 4-(Boc-aMino)-3,3-diMethylpiperidine tert-butyl N-(4,4-difluoropyrrolidin-3-yl)carbamate TERT-BUTYL 3-FORMYLBENZYLCARBAMATE L-Cystine bis(t-butyl ester) dihydrochloride tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate 2-(TERT-BUTOXYCARBONYL)-2,7-DIAZASPIRO[3.5]NONANE HYDROCHLORIDE tert-Butyl 3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate 1-Oxa-4,8-diazaspiro[5.5]undecan-8-carboxylic acid tert-butyl ester TERT-BUTYL 4-BROMO-3-METHYLBENZOATE TERT-BUTYL 4-BROMO-2-METHOXYBENZOATE TERT-BUTYL-2-BROMOBENZOATE

  • 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