TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE

Product Name: TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE
CAS No.: 38446-95-6
Chemical Name: TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE
Synonyms: tert-butyl 4-oxocyclohexane-1-carboxylate;4-Boc-cyclohexanone;Cyclohexanecarboxylic acid, 4-oxo-, 1,1-dimethylethyl ester
CBNumber: CB61119411
Molecular Formula: C11H18O3
Formula Weight: 198.26
MOL File: 38446-95-6.mol

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TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE Property

Boiling point:: 271.5±33.0 °C(Predicted)
Density: 1.042±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Appearance: White to off-white Solid

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Safety

HS Code: 2914500090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

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: B872208
Product name: tert-Butyl4-oxocyclohexanecarboxylate
Packaging: 50mg
Price: $65
Updated: 2021/12/16

AK Scientific

Product number: W5920
Product name: tert-Butyl4-oxocyclohexanecarboxylate
Packaging: 100mg
Price: $109
Updated: 2021/12/16

ChemScene

Product number: CS-0043135
Product name: tert-Butyl4-oxocyclohexanecarboxylate
Purity: >97.0%
Packaging: 1g
Price: $127
Updated: 2021/12/16

SynQuest Laboratories

Product number: 2229-1-47
Product name: tert-Butyl 4-oxocyclohexane-1-carboxylate
Purity: 97%
Packaging: 1g
Price: $170
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB154997
Product name: tert-Butyl 4-oxocyclohexanecarboxylate
Packaging: 500mg
Price: $300
Updated: 2021/12/16

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TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE Chemical Properties,Usage,Production

Synthesis

874-61-3

75-65-0

38446-95-6

General procedure for the synthesis of tert-butyl 4-oxocyclohexanecarboxylate from 4-cyclohexanonecarboxylic acid and tert-butanol: To an ice-cold solution of Intermediate 7 (4-cyclohexanonecarboxylic acid, 5.0 g, 35 mmol) in pyridine (19 mL) and tert-butanol (27 mL) was added triclophosphorus oxychloride (POCl3, 4.7 mL, 50.6 mmol) dropwise. The reaction mixture was slowly warmed to room temperature and stirred continuously for 4 hours. Upon completion of the reaction, the crude reaction mixture was carefully poured into ice water and extracted with ethyl acetate (EtOAc). The organic layers were combined, washed with saturated brine, dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to afford Intermediate 8 (tert-butyl 4-oxocyclohexanecarboxylate, 4.0 g, 58% yield), which could be used in the next reaction without further purification. The product was confirmed by 1H NMR (400 MHz, CDCl3): δ 2.66 (tt, J = 9.6, 3.9 Hz, 1H), 2.48 (dt, J = 14.8, 5.4 Hz, 2H), 2.36 (m, 2H), 2.18 (ddd, J = 14.1, 8.7, 4.4 Hz, 2H), 2.01 (dtd, J = 14.4, 9.5, 4.8 Hz, 2H), 1.48 (s, 9H). lC/MS analysis showed a calculated value of 198.3 for m/z and a measured value of 199.1 (M + 1)+.

References

[1] Biological and Pharmaceutical Bulletin, 1995, vol. 18, # 3, p. 407 - 410
[2] Patent: WO2017/17609, 2017, A1. Location in patent: Paragraph 00215
[3] Patent: WO2017/51355, 2017, A1. Location in patent: Paragraph 00217
[4] Patent: WO2013/163279, 2013, A1. Location in patent: Paragraph 00382

TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE Preparation Products And Raw materials

Raw materials

Preparation Products

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TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE Suppliers

China 75 India 1 United Kingdom 1 United States 7 Global 84

J & K SCIENTIFIC LTD.

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View Lastest Price from TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: tert-butyl 4-oxocyclohexanecarboxylate 38446-95-6
Price: US $3.00-9.00/KG
Min. Order: 0.1KG
Purity: 99%
Supply Ability: g-kg-tons, free sample is available
Release date: 2025-06-24

Shanghai Yongzeng Technology Co.,Ltd

Product: Cyclohexanecarboxylicacid ,4-oxo-,1,1-Dimethylethyl ester 38446-95-6
Price: US $0.00/gm
Min. Order: 100gm
Purity: 99%min
Supply Ability: 100kgs
Release date: 2024-09-06

Pharmahands (Taizhou) Co., Ltd.

Product: TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE 38446-95-6
Price: US $0.00-0.00/Kg/Drum
Min. Order: 1g
Purity: 99%
Supply Ability: 300KG/MONTH
Release date: 2020-12-09

38446-95-6, TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE Related Search:

BENZOIC ACID TERT-BUTYL ESTER TERT-BUTYL 4-OXO-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE Methyl 4-oxotetrahydrothiophene-3-carboxylate DI(TERT-BUTYL) 2-(4-ETHOXYPHENYL)-4-HYDROXY-4-METHYL-6-OXO-1,3-CYCLOHEXANEDICARBOXYLATE AKOS B024701 TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE DITERT-BUTYL 2-(FURAN-2-YL)-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE

Cyclohexanecarboxylic acid, 4-oxo-, 1,1-dimethylethyl ester

tert-butyl 4-oxocyclohexane-1-carboxylate

4-Boc-cyclohexanone

38446-95-6

Drug Intermediates