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4-(2,4-dimethoxyphenyl)-4-oxo-butanoic acid is a chemical compound characterized by the molecular formula C12H14O5. It is a derivative of butanoic acid, featuring a 4-oxo group and a 2,4-dimethoxyphenyl group. 4-(2,4-dimethoxyphenyl)-4-oxo-butanoic acid is known for its unique chemical structure and potential biological activities, making it a valuable asset in organic synthesis and pharmaceutical research.

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  • 14617-06-2 Structure
  • Basic information

    1. Product Name: 4-(2,4-dimethoxyphenyl)-4-oxo-butanoic acid
    2. Synonyms: 4-(2,4-dimethoxyphenyl)-4-oxo-butanoic acid
    3. CAS NO:14617-06-2
    4. Molecular Formula: C12H14O5
    5. Molecular Weight: 238.24
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 14617-06-2.mol
  • Chemical Properties

    1. Melting Point: 148 °C
    2. Boiling Point: 452.3°Cat760mmHg
    3. Flash Point: 176.1°C
    4. Appearance: /
    5. Density: 1.211g/cm3
    6. Vapor Pressure: 5.7E-09mmHg at 25°C
    7. Refractive Index: 1.527
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 4.46±0.17(Predicted)
    11. CAS DataBase Reference: 4-(2,4-dimethoxyphenyl)-4-oxo-butanoic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-(2,4-dimethoxyphenyl)-4-oxo-butanoic acid(14617-06-2)
    13. EPA Substance Registry System: 4-(2,4-dimethoxyphenyl)-4-oxo-butanoic acid(14617-06-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 14617-06-2(Hazardous Substances Data)

14617-06-2 Usage

Uses

Used in Organic Synthesis:
4-(2,4-dimethoxyphenyl)-4-oxo-butanoic acid is used as a building block in organic synthesis for the creation of other organic compounds. Its distinctive structure allows for versatile reactions and the formation of a variety of chemical entities.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 4-(2,4-dimethoxyphenyl)-4-oxo-butanoic acid is utilized as a starting material or intermediate in the development of new drugs. Its potential biological activities and chemical properties make it a promising candidate for medicinal chemistry.
Safety Considerations:
It is crucial to handle 4-(2,4-dimethoxyphenyl)-4-oxo-butanoic acid with care and adhere to proper safety protocols when working with it in a laboratory setting to ensure the safety of researchers and the integrity of experiments.

Check Digit Verification of cas no

The CAS Registry Mumber 14617-06-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,4,6,1 and 7 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 14617-06:
(7*1)+(6*4)+(5*6)+(4*1)+(3*7)+(2*0)+(1*6)=92
92 % 10 = 2
So 14617-06-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H14O5/c1-16-8-3-4-9(11(7-8)17-2)10(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)

14617-06-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(2,4-dimethoxyphenyl)-4-oxobutanoic acid

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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:14617-06-2 SDS

14617-06-2Relevant articles and documents

TMSCl-Catalyzed Electrophilic Thiocyano Oxyfunctionalization of Alkenes Using N-Thiocyano-dibenzenesulfonimide

Ye, Ai-Hui,Zhang, Ye,Xie, Yu-Yang,Luo, Hui-Yun,Dong, Jia-Wei,Liu, Xiao-Dong,Song, Xu-Feng,Ding, Tongmei,Chen, Zhi-Min

, p. 5106 - 5110 (2019)

Numerous electrophilic thiocyano oxyfunctionalization reactions of alkenes have been achieved using N-thiocyano-dibenzenesulfonimide, which is a new electrophilic thiocyanation reagent and could be easily prepared in two steps from dibenzenesulfonimide. T

Studies on Antibiotics Active against Resistant Bacteria. Total Synthesis of MRSA-Active Tetarimycin A and Its Analogues

Huang, Jing-Kai,Yang Lauderdale, Tsai-Ling,Shia, Kak-Shan

supporting information, p. 4248 - 4251 (2015/09/15)

Making use of the Hauser-Kraus annulation as a key step, the first total synthesis of tetarimycin A has been accomplished in a highly convergent and operationally simple manner. Preliminary SAR not only validated that tetarimycin A exhibited potent activi

Design and synthesis of 4-aryl-4-oxobutanoic acid amides as calpain inhibitors

Zhang, Yong,Jung, Seo Yoon,Jin, Changbae,Kim, Nam Doo,Gong, Ping,Lee, Yong Sup

scheme or table, p. 502 - 507 (2011/02/28)

The involvement of μ-calpain in neurological disorders, such as stroke and Alzheimer's disease has attracted considerable interest in the use of calpain inhibitors as therapeutic agents. 4-Aryl-4-oxobutanoic acid amide derivatives 4 were designed as acyclic variants of μ-calpain inhibitory chromone and quinolinone derivatives. Of the compounds synthesized, 4c-2, which possesses a 2-methoxymethoxy group at the phenyl ring and a primary amide at the warhead region most potently inhibited μ-calpain (IC50 = 0.34 μM). Our findings suggest that the 4-aryl-4-oxobutanoic acid amide derivatives should be considered as a new family of μ-calpain inhibitors.

A simple synthesis of α-methyl-γ-keto acids

Pawar,Waghmare,Lokhande

, p. 2549 - 2551 (2007/10/03)

The reaction of the anion derived from α-marpholinonitriles with methyl acrylate in excess of NaH in DMF gives γ-keto acids in high yield. This process is highly convenient for the synthesis of various α-substituted-γ-keto acids, which can be easily converted to naturally occurring α-substituted -γ-lactones.

Process for the production of cyclic sulfonium salts

-

, (2008/06/13)

A process for the production of a 5-7 membered ring cyclic sulfonium salt compound, including a 5-7 membered ring cyclic sulfonium salt compound having a non-nucleophilic anion, is described. Members of the latter group are potentially useful as initiators for cationic polymerizations. The process comprises reacting a 1.4-, 1.5-, or 1.6-diol compound or a 5-7 membered ring cyclic ether compound with a mercapto compound and a strong protonic acid yielding the cyclic sulfonium salt compound. Some compounds described are also novel compounds per se.

Syntheses of Tetrahydronaphthalenes. Part II

Parlow, John J.

, p. 3297 - 3314 (2007/10/02)

Syntheses utilizing the cyclodehydration method to prepare novel tetrahydronaphthalenes substituted with functional groups at each position of the aromatic ring and various alkyl groups at the 1-position of the non-aromatic ring are described.

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