ChemicalBook > CAS DataBase List > T-butyl-3-oxocyclobutanecarboxylate

T-butyl-3-oxocyclobutanecarboxylate

Product Name
T-butyl-3-oxocyclobutanecarboxylate
CAS No.
145549-76-4
Chemical Name
T-butyl-3-oxocyclobutanecarboxylate
Synonyms
T-butyl-3-oxocyclobutanecarboxylate;tert-Butyl 3-oxocyclobutanecarboxylate;tert-butyl 3-oxocyclobutane-1-carboxylate;tert-Butyl3-oxocyclobutanecarboxylate,97%;tert-Butyl 3-oxocyclobutanecarboxylate - [B14357];3-Oxo-cyclobutanecarboxylic acid tert-butyl ester;Cyclobutanecarboxylic acid, 3-oxo-, 1,1-diMethylethyl ester
CBNumber
CB72489587
Molecular Formula
C9H14O3
Formula Weight
170.21
MOL File
145549-76-4.mol
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T-butyl-3-oxocyclobutanecarboxylate Property

Boiling point:
230.4±33.0 °C(Predicted)
Density 
1.1g/ml
storage temp. 
Sealed in dry,Store in freezer, under -20°C
form 
semi-solid
color 
Colourless
InChI
InChI=1S/C9H14O3/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6H,4-5H2,1-3H3
InChIKey
JINYZTGTQXDUQR-UHFFFAOYSA-N
SMILES
C1(C(OC(C)(C)C)=O)CC(=O)C1
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Safety

HS Code 
2918300090
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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

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
B809965
Product name
tert-Butyl 3-oxocyclobutanecarboxylate
Packaging
50mg
Price
$60
Updated
2021/12/16
Synthonix
Product number
B14357
Product name
tert-Butyl 3-oxocyclobutanecarboxylate
Purity
95+%
Packaging
1g
Price
$20
Updated
2021/12/16
Synthonix
Product number
B14357
Product name
tert-Butyl 3-oxocyclobutanecarboxylate
Purity
95+%
Packaging
10g
Price
$50
Updated
2021/12/16
Apolloscientific
Product number
OR921343
Product name
tert-Butyl 3-oxocyclobutanecarboxylate
Purity
95%
Packaging
5g
Price
$70
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB165567
Product name
tert-Butyl 3-oxocyclobutanecarboxylate
Packaging
5G
Price
$75
Updated
2021/12/16
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T-butyl-3-oxocyclobutanecarboxylate Chemical Properties,Usage,Production

Synthesis

23761-23-1

75-65-0

145549-76-4

General procedure for the synthesis of tert-butyl 3-oxocyclobutanecarboxylate from 3-oxocyclobutanecarboxylic acid and tert-butanol: To a solution of commercially available 3-oxocyclobutanecarboxylic acid (11.4 g, 100 mmol) in anhydrous dichloromethane (DCM, 100 mL) was added N,N'-dicyclohexylcarbodiimide (DCC, 31 g, 150 mmol) and tert-butanol (8.9 g, 120 mmol). 120 mmol). The reaction mixture was stirred at room temperature overnight. After completion of the reaction, the reaction was quenched with deionized water and the aqueous phase was extracted with DCM. The organic layers were combined, washed with saturated saline, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography to afford the target product tert-butyl 3-oxocyclobutanecarboxylate (15.1 g, 89% yield).

References

[1] Patent: WO2014/131855, 2014, A1. Location in patent: Page/Page column 77
[2] Journal of Medicinal Chemistry, 2016, vol. 59, # 19, p. 8967 - 9004
[3] Journal of Organic Chemistry, 1993, vol. 58, # 1, p. 100 - 110
[4] Journal of Medicinal Chemistry, 2017, vol. 60, # 2, p. 627 - 640
[5] Patent: US2009/298894, 2009, A1. Location in patent: Page/Page column 44

T-butyl-3-oxocyclobutanecarboxylate Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from T-butyl-3-oxocyclobutanecarboxylate manufacturers

Henan Fengda Chemical Co., Ltd
Product
T-butyl-3-oxocyclobutanecarboxylate 145549-76-4
Price
US $200.00-1.00/KG
Min. Order
1KG
Purity
99%, 99.5% Sublimated
Supply Ability
g-kg-tons, free sample is available
Release date
2023-12-30
Career Henan Chemical Co
Product
T-butyl-3-oxocyclobutanecarboxylate 145549-76-4
Price
US $1.00/g
Min. Order
1g
Purity
99%
Supply Ability
10000KGS
Release date
2020-01-11

145549-76-4, T-butyl-3-oxocyclobutanecarboxylateRelated Search:

(3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER Methyl 3-hydroxycyclobuta... METHYL 3-OXOCYCLOBUTANECARBOXYLATE BENZYL 3-OXOCYCLOBUTYLCARBAMATE 3-Hydroxy-cyclobutanecarboxylic acid ethyl ester 3-HYDROXYCYCLOBUTANECARBOXYLIC ACID tert-butyl 3-hydroxycyclobutanecarboxylate Cyclobutanecarboxylic acid, 3-methylene-, methyl ester (6CI,8CI,9CI) Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI) ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE 3-Oxocyclobutanecarboxylic acid

  • tert-Butyl 3-oxocyclobutanecarboxylate
  • 3-Oxo-cyclobutanecarboxylic acid tert-butyl ester
  • tert-butyl 3-oxocyclobutane-1-carboxylate
  • Cyclobutanecarboxylic acid, 3-oxo-, 1,1-diMethylethyl ester
  • T-butyl-3-oxocyclobutanecarboxylate
  • tert-Butyl3-oxocyclobutanecarboxylate,97%
  • tert-Butyl 3-oxocyclobutanecarboxylate - [B14357]
  • 145549-76-4