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tert-Butyl 4-(bromomethyl)benzoate

Product Name
tert-Butyl 4-(bromomethyl)benzoate
CAS No.
108052-76-2
Chemical Name
tert-Butyl 4-(bromomethyl)benzoate
Synonyms
t-butyl-4-bromomethylbenzoate;tert-Butyl 4-(bromomethyl)benz;Tert-butyl-4-(broMoMethyl)benzaote;tert-Butyl 4-(bromomethyl)benzoate;TERT-BUTYL P-(BROMOMETHYL) BENZOATE;4-Benzoic acid mono tert-butyl ester;tert-Butyl4-(bromomethyl)benzoate,95%;1,1-DIMETHYLETHYL 4-(BROMOMETHYL)BENZOATE;4-Bromomethyl-benzoic acid tert-butyl ester;( tert butyl -2 (4 BroMoMethylphenyl) benzoate
CBNumber
CB5136247
Molecular Formula
C12H15BrO2
Formula Weight
271.15
MOL File
108052-76-2.mol
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tert-Butyl 4-(bromomethyl)benzoate Property

Melting point:
53-55 °C
Boiling point:
320.9±25.0 °C(Predicted)
Density 
1.313±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
solubility 
DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2)(1:3): .25 mg/ml
form 
A crystalline solid
InChI
InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3
InChIKey
GSIBTIUXYYFCPU-UHFFFAOYSA-N
SMILES
C(OC(C)(C)C)(=O)C1=CC=C(CBr)C=C1
CAS DataBase Reference
108052-76-2(CAS DataBase Reference)
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Safety

HS Code 
2916399090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H314Causes severe skin burns and eye damage

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P310Immediately call a POISON CENTER or doctor/physician.

P321Specific treatment (see … on this label).

P363Wash contaminated clothing before reuse.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Cayman Chemical
Product number
10007129
Product name
tert-butyl p-(bromomethyl) Benzoate
Purity
>98%
Packaging
1g
Price
$71
Updated
2024/03/01
Cayman Chemical
Product number
10007129
Product name
tert-butyl p-(bromomethyl) Benzoate
Purity
>98%
Packaging
5g
Price
$283
Updated
2023/01/06
TRC
Product number
B697030
Product name
4-Bromomethylbenzoicacidmonotert-butylester
Packaging
1g
Price
$75
Updated
2021/12/16
Apolloscientific
Product number
OR310609
Product name
4-Bromo-methyl-benzoic acid mono tert-butyl ester
Packaging
1g
Price
$92
Updated
2021/12/16
SynQuest Laboratories
Product number
2623-9-31
Product name
4-Bromo-methyl-benzoic acid mono tert-butyl ester
Packaging
1g
Price
$109
Updated
2021/12/16
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tert-Butyl 4-(bromomethyl)benzoate Chemical Properties,Usage,Production

Description

tert-butyl p-(bromomethyl) Benzoate is a synthetic intermediate useful for pharmaceutical synthesis.WARNING This product is not for human or veterinary use.

Synthesis

To a solution of substituted toluene in carbon tetrachloride were added N-bromosuccinimide (1.1 equiv) and 2,2'-azobis(isobutyronitrile) (0.15 equiv). The mixture was refluxed, then filtered and concentrated. The residue was purified by silica gel column chromatography to give tert-Butyl 4-(bromomethyl)benzoate.

References

[1] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 10, p. 3156 - 3172
[2] Angewandte Chemie - International Edition, 2007, vol. 46, # 46, p. 8869 - 8871
[3] Journal of Medicinal Chemistry, 1989, vol. 32, # 3, p. 709 - 715
[4] Patent: CN108329259, 2018, A. Location in patent: Paragraph 0047; 0052
[5] European Journal of Medicinal Chemistry, 2018, vol. 152, p. 175 - 194

tert-Butyl 4-(bromomethyl)benzoate Preparation Products And Raw materials

Raw materials

4-bromomethylbenzoyl chloride Tert-butyl 4-bromomethylbenzoate tert-Butanol

Preparation Products

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View Lastest Price from tert-Butyl 4-(bromomethyl)benzoate manufacturers

Career Henan Chemical Co
Product
4-(BROMOMETHYL)-BENZOIC ACID, 1,1-DIMETHYLETHYL ESTER 108052-76-2
Price
US $1.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
100KG
Release date
2019-09-18

108052-76-2, tert-Butyl 4-(bromomethyl)benzoateRelated Search:

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  • 4-(BROMOMETHYL)-BENZOIC ACID, 1,1-DIMETHYLETHYL ESTER
  • TERT-BUTYL P-(BROMOMETHYL) BENZOATE
  • 4-Bromomethyl-benzoic acid tert-butyl ester
  • t-butyl-4-bromomethylbenzoate
  • 1,1-DIMETHYLETHYL 4-(BROMOMETHYL)BENZOATE
  • 4-BROMO METHYL BENZOIC ACID MONO TERT-BUTYL ESTER
  • tert-Butyl 4-(bromomethyl)benzoate
  • 4-Benzoic acid mono tert-butyl ester
  • ( tert butyl -2 (4 BroMoMethylphenyl) benzoate
  • Tert-butyl-4-(broMoMethyl)benzaote
  • tert-Butyl 4-(bromomethyl)benz
  • Benzoicacid,4-(bromomethyl)-,1,1-dimethylethylester
  • tert-Butyl4-(bromomethyl)benzoate,95%
  • 108052-76-2
  • 108052-76-4
  • C12H15BrO2