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Sodium 3-oxo-3-phenylpropanoate, with the molecular formula C9H7NaO3, is a white crystalline powder that is soluble in water. It is a chemical compound commonly utilized in the pharmaceutical industry as a pharmaceutical intermediate and as a precursor in the synthesis of various pharmaceutical products. Additionally, it can be used as a food additive and flavoring agent.

7063-21-0

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7063-21-0 Usage

Uses

Used in Pharmaceutical Industry:
Sodium 3-oxo-3-phenylpropanoate is used as a pharmaceutical intermediate for the synthesis of various pharmaceutical products. Its role in the industry is crucial for the development of new medications and the improvement of existing ones.
Used as a Precursor in Pharmaceutical Synthesis:
In the pharmaceutical industry, Sodium 3-oxo-3-phenylpropanoate serves as a precursor, which is a substance that can be converted into a desired product through chemical reactions. This makes it an essential component in the production process of certain pharmaceuticals.
Used in Food Industry:
Sodium 3-oxo-3-phenylpropanoate is used as a food additive and flavoring agent, contributing to the taste and quality of various food products.
Safety Precautions:
It is important to handle Sodium 3-oxo-3-phenylpropanoate with caution, as it can be a skin and eye irritant. Additionally, it may cause respiratory irritation if inhaled. Proper safety measures should be taken to minimize the risk of exposure and potential health hazards.

Check Digit Verification of cas no

The CAS Registry Mumber 7063-21-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,0,6 and 3 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 7063-21:
(6*7)+(5*0)+(4*6)+(3*3)+(2*2)+(1*1)=80
80 % 10 = 0
So 7063-21-0 is a valid CAS Registry Number.
InChI:InChI=1/C26H37N5O2S2/c1-6-9-10-19(7-2)17-31-25(33)22(35-26(31)34)15-20-18(4)21(16-27)24(32)28(5)23(20)30-13-11-29(8-3)12-14-30/h15,19H,6-14,17H2,1-5H3

7063-21-0SDS

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 Sodium 3-oxo-3-phenylpropanoate

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:7063-21-0 SDS

7063-21-0Relevant academic research and scientific papers

Asymmetric Mannich synthesis of α-amino esters by anion-binding catalysis

Wasa, Masayuki,Liu, Richard Y.,Roche, Stéphane P.,Jacobsen, Eric N.

supporting information, p. 12872 - 12875 (2016/10/06)

We report a scalable, one-pot Mannich route to enantioenriched α-amino esters by direct reaction of α-chloroglycine ester as a practical imino ester surrogate. The reaction is promoted by a chiral aminothiourea, which is proposed to operate cooperatively

Imidazolidene carboxylate bound MBPh4 complexes (M = Li, Na) and their relevance in transcarboxylation reactions

Van Ausdall, Bret R.,Poth, Nils F.,Kincaid, Virginia A.,Arif, Atta M.,Louie, Janis

experimental part, p. 8413 - 8420 (2011/12/16)

Combination of 1,3-bis(2,6-diisopropylphenyl)imidazolum-2-carboxylate (IPrCO2) with the Lewis acids MBPh4, where M = Li or Na, provided two separate complexes. The crystal structures of these complexes revealed that coordination to NaBPh4 yielded a dimeric species, yet coordination of IPrCO2 with LiBPh4 yielded a monomeric species. Combination of 1,3-bis(2,4,6-trimethylphenyl)imidazolum-2-carboxylate (IMesCO2) with LiBPh4 also afforded a dimeric species that was similar in global structure to that of the IPrCO2+NaBPh 4 dimer. In all three cases, the cation of the organic salt was coordinated to the oxyanion of the zwitterionic carboxylate. Thermogravimetric analysis of the crystals demonstrated that decarboxylation occurred at lower temperatures than the decarboxylation temperature of the parent NHC·CO2 (NHC = N-heterocyclic carbene). Kinetic analysis of the transcarboxylation of IPrCO2 to acetophenone with NaBPh 4 to yield sodium benzoylacetate was performed. First-order dependences were observed for IPrCO2 and acetophenone, whereas zero -order dependence was observed for NaBPh4. Direct dicarboxylation was observed when ItBuCO2 was added to MeCN in the absence of added MBPh4.

A PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY

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Page/Page column 74, (2010/11/04)

There is provided a prodrug of a pharmaceutically active agent, said prodrug comprising a beta-keto carboxylic acid, a beta-keto carboxylic acid salt or a beta-keto carboxylic acid ester functional group, to a pharmaceutical composition comprising the prodrug, and to the use of the prodrug or composition for treatment of a mammalian subject suffering from a condition which can be cured or alleviated by administration of said pharmaceutically active agent. There is further provided a method of inhibiting decarboxylation of a compound comprising a beta-keto carboxylic acid or a salt thereof with a monovalent cation, characterized in that a dry salt of said beta-keto carboxylic acid with a divalent or polyvalent cation is prepared.

Utilisation of 1,3-dialkylimidazolium-2-carboxylates as CO 2-carriers in the presence of Na+ and K+: Application in the synthesis of carboxylates, monomethylcarbonate anions and halogen-free ionic liquids

Tommasi, Immacolata,Sorrentino, Fabiana

, p. 2141 - 2145 (2007/10/03)

1,3-Dialkylimidazolium-2-carboxylate compounds have recently been fully characterised. Here we describe the utilisation of 1,3-dimethyl (1a) and 1-butyl-3-methyl-imidazolium-2-carboxylate (1b) in a carboxylation reaction with transfer of the CO2 moiety to benzoylacetone and methanol for the synthesis, in high yield, of benzoylacetate and monoalkylcarbonate anions, respectively. Conversely, when compounds 1a and b are reacted with carbonylic substrates lacking C-H active bonds, a product resulting from nucleophilic attack of the 1,3-dialkylimidazol-2-ylidene species on the carbonyl moiety is obtained. The reported reactions can find applications in organic synthesis and in the synthesis of halogen-free ionic liquids.

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