ChemicalBook > CAS DataBase List > 5-BROMOPENTANOIC ACID, T-BUTYL ESTER

5-BROMOPENTANOIC ACID, T-BUTYL ESTER

Product Name
5-BROMOPENTANOIC ACID, T-BUTYL ESTER
CAS No.
88987-42-2
Chemical Name
5-BROMOPENTANOIC ACID, T-BUTYL ESTER
Synonyms
tert-butyl 5-bromopentanoate;tert-Butyl 5-bromovalerate;5-BROMOPENTANOIC ACID, T-BUTYL ESTER;Pentanoic acid, 5-bromo-, 1,1-dimethylethyl ester;tert-Butyl 5-bromovalerate , tert-Butyl 5-bromovalerate
CBNumber
CB52648698
Molecular Formula
C9H17BrO2
Formula Weight
237.13
MOL File
88987-42-2.mol
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5-BROMOPENTANOIC ACID, T-BUTYL ESTER Property

Boiling point:
93 °C(Press: 1.6 Torr)
Density 
1.223±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
Appearance
Colorless to light yellow Liquid
InChI
InChI=1S/C9H17BrO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7H2,1-3H3
InChIKey
UYDIIUHJHUZDME-UHFFFAOYSA-N
SMILES
C(OC(C)(C)C)(=O)CCCCBr
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

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

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N-Bromosuccinimide Price

TRC
Product number
B699320
Product name
tert-Butyl5-Bromovalerate
Packaging
100mg
Price
$60
Updated
2021/12/16
TRC
Product number
B699320
Product name
tert-Butyl5-Bromovalerate
Packaging
250mg
Price
$100
Updated
2021/12/16
TRC
Product number
B699320
Product name
tert-Butyl5-Bromovalerate
Packaging
500mg
Price
$165
Updated
2021/12/16
AK Scientific
Product number
4949CC
Product name
Tert-Butyl5-bromopentanoate
Packaging
1g
Price
$205
Updated
2021/12/16
Ambeed
Product number
A153912
Product name
tert-Butyl5-bromovalerate
Purity
95%
Packaging
10g
Price
$246
Updated
2021/12/16
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5-BROMOPENTANOIC ACID, T-BUTYL ESTER Chemical Properties,Usage,Production

Uses

tert-Butyl 5-Bromovalerate is a reactant used in synthetic preparation of haptens for production of monoclonal antibodies for pyraclostrobin ELISA.

Synthesis

2067-33-6

75-65-0

88987-42-2

5-Bromovaleric acid (5 g, 27.62 mmol) was dissolved in anhydrous dichloromethane (DCM), and the solution was brought to room temperature and stirred under cooling in an ice bath. N,N'-dimethylaminopyridine (DMAP, 1.68 g, 13.75 mmol) and dicyclohexylcarbodiimide (DCC, 6.83 g, 33.15 mmol) were added sequentially. After half an hour of reaction, tert-butanol (15.8 ml, 165.75 mmol) was added to the mixture. The reaction solution was stirred at room temperature overnight. After completion of the reaction, the reaction mixture was diluted with dichloromethane and washed sequentially with water and brine. The organic layer was separated, dried over anhydrous sodium sulfate and evaporated under reduced pressure to remove the solvent. The crude product was purified by silica gel column chromatography with hexane-ethyl acetate (1%) as eluent to give pure tert-butyl 5-bromopentanoate 4.1 g (62.6% yield) as a light yellow liquid.

References

[1] Patent: WO2015/6740, 2015, A2. Location in patent: Page/Page column 182; 183
[2] Patent: WO2016/154241, 2016, A1. Location in patent: Paragraph 670; 671
[3] European Journal of Organic Chemistry, 2018, vol. 2018, # 37, p. 5180 - 5192
[4] Patent: KR101569966, 2015, B1. Location in patent: Paragraph 0145; 0146
[5] Patent: WO2011/53519, 2011, A1. Location in patent: Page/Page column 27-28

5-BROMOPENTANOIC ACID, T-BUTYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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5-BROMOPENTANOIC ACID, T-BUTYL ESTER Suppliers

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88987-42-2, 5-BROMOPENTANOIC ACID, T-BUTYL ESTERRelated Search:

3-Boc-6-oxa-3-aza-bicyclo[3.1.0]hexane tert-Butyl 5-iodopentylcarbamate tert-Butyl 9-aminononanoate Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester tert-butyl 5-oxo-L-prolinate tert-butyl(7-oxoheptyl) carbamate TERT-BUTYL 6-IODOHEXYLCARBAMATE t-butyl 6-bromo-3-pyridinecarboxylate CID 134085954 tert-butyl 6-aminopyridine-2-carboxylate TERT-BUTYL 5-BROMOISOINDOLINE-2-CARBOXYLATE tert-butyl 5-bromoindoline-1-carboxylate tert-Butyl 7-bromoheptanoate TERT-BUTYL 5-BROMOPYRIDINE-2-CARBOXYLATE 98 tert-Butyl 6-oxohexylcarbamate tert-butyl 5-chloropicolinate Hexanoic acid, 5-oxo-, 1,1-dimethylethyl ester tert-Butyl 7-iodoheptylcarbamate

  • 5-BROMOPENTANOIC ACID, T-BUTYL ESTER
  • tert-butyl 5-bromopentanoate
  • tert-Butyl 5-bromovalerate
  • Pentanoic acid, 5-bromo-, 1,1-dimethylethyl ester
  • tert-Butyl 5-bromovalerate , tert-Butyl 5-bromovalerate
  • 88987-42-2