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3249-68-1

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3249-68-1 Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 3249-68-1 differently. You can refer to the following data:
1. colourless liquid
2. Ethyl 3-oxohexanoate has a slightly fatty odor.

Uses

Ethyl Butyrylacetate is used in the synthesis of pharmaceutical agents such as the anti-HIV agent (+/-)-Calanolide A.Also used in the synthesis of potent and selective polymerase inhibitors.

Taste threshold values

Taste characteristics at 50 ppm: fruity, pineapple and green with sweet licorice and vanilla notes.

Synthesis Reference(s)

The Journal of Organic Chemistry, 44, p. 310, 1979 DOI: 10.1021/jo01316a039

General Description

Ethyl 3-oxohexanoate is a volatile flavor ester that is reported to occur in banana fruit. It can undergo bioreduction to form ethyl (R)-3-hydroxyhexanoate, another key food flavoring agent.

Check Digit Verification of cas no

The CAS Registry Mumber 3249-68-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,2,4 and 9 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 3249-68:
(6*3)+(5*2)+(4*4)+(3*9)+(2*6)+(1*8)=91
91 % 10 = 1
So 3249-68-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3

3249-68-1 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • TCI America

  • (K0030)  Ethyl 3-Oxohexanoate  >95.0%(GC)

  • 3249-68-1

  • 25mL

  • 290.00CNY

  • Detail
  • TCI America

  • (K0030)  Ethyl 3-Oxohexanoate  >95.0%(GC)

  • 3249-68-1

  • 500mL

  • 2,650.00CNY

  • Detail
  • Alfa Aesar

  • (A12786)  Ethyl butyrylacetate, 98%   

  • 3249-68-1

  • 50g

  • 365.0CNY

  • Detail
  • Alfa Aesar

  • (A12786)  Ethyl butyrylacetate, 98%   

  • 3249-68-1

  • 250g

  • 945.0CNY

  • Detail
  • Alfa Aesar

  • (A12786)  Ethyl butyrylacetate, 98%   

  • 3249-68-1

  • 1000g

  • 3566.0CNY

  • Detail

3249-68-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3-oxohexanoate

1.2 Other means of identification

Product number -
Other names butyryl acetic acid ethyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3249-68-1 SDS

3249-68-1Relevant articles and documents

-

Abramovitch,Hauser

, p. 2721 (1942)

-

Discrimination of β-ketoesters by ruthenium(II)-binap-catalyzed asymmetric hydrogenation

Kramer, Rainer,Brueckner, Reinhard

, p. 6537 - 6541 (2007)

(Chemical Equation Presented) Please, after you... β-Ketoesters in mixtures underwent Noyori reduction one by one at room temperature under 4 bar of hydrogen pressure in the presence of a catalyst formed from RuII and (S)-binap (see example). The rate of the asymmetric hydrogenation and hence the selectivity for a particular β-ketoester was found to depend on the Lewis basicity of the ester group. Binap = 2,2′-bis(diphenylphosphanyl)-1, 1′-binaphthyl.

Radical Aza-Cyclization of α-Imino-oxy Acids for Synthesis of Alkene-Containing N-Heterocycles via Dual Cobaloxime and Photoredox Catalysis

Tu, Jia-Lin,Liu, Jia-Li,Tang, Wan,Su, Ma,Liu, Feng

supporting information, p. 1222 - 1226 (2020/02/15)

Nitrogen-containing heterocycles are prevalent in both naturally and synthetically bioactive molecules. We report herein an unprecedented protocol for radical aza-cyclization of α-imino-oxy acids with pendant alkenes via synergistic photoredox and cobaloxime catalysis. With or without alkenes as the intermolecular cross-coupling partners, the transformation provides a variety of corresponding alkene-containing dihydropyrrole products in satisfactory yields. In the presence of external alkenes, the tandem reaction generates E-selective coupling products with excellent chemo- and stereoselectivity.

General [4 + 1] Cyclization Approach to Access 2,2-Disubstituted Tetrahydrofurans Enabled by Electrophilic Bifunctional Peroxides

Gao, Min,Zhao, Yukun,Zhong, Chen,Liu, Shengshu,Liu, Pengkang,Yin, Qi,Hu, Lin

supporting information, p. 5679 - 5684 (2019/08/01)

A general [4 + 1] cyclization reaction of carbonyl nucleophiles with 2-iodomethylallyl peroxides, which function as unique electrophilic oxygen synthons, for the synthesis of a broad range of 2,2-disubstituted tetrahydrofurans is achieved under operationally simple conditions. The unprecedented asymmetric version of such reaction is also realized via chiral auxiliary-assisted cyclization, thus providing a distinct approach to access chiral tetrahydrofurans with high diastereoselectivities. The new method can be applied to the synthesis of core structure of posaconazole drug.

Continuous flow synthesis of toxic ethyl diazoacetate for utilization in an integrated microfluidic system

Maurya, Ram Awatar,Min, Kyoung-Ik,Kim, Dong-Pyo

supporting information, p. 116 - 120 (2014/01/06)

An integrated microfluidic system for multiple reactions and separations of hazardous ethyl diazoacetate is presented. The integrated techniques include: a droplet technique for liquid-liquid and/or gas-liquid separation and in situ generation of the toxic reagent, a dual channel membrane technique based on a cheap polymeric microseparator for liquid-liquid separation, and a capillary microreactor for carrying out cascade reactions in a sequential and continuous manner.

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