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(S)-4-TERT-BUTOXY-4-OXO-2-PHENYLBUTANOIC ACID, with the molecular formula C16H20O4, is a carboxylic acid derivative and a member of the phenylbutanoic acids class within organic compounds. As an enantiomer of 4-tert-butoxy-4-oxo-2-phenylbutanoic acid, it holds potential for applications in both the pharmaceutical and agricultural sectors, possibly serving as a precursor in the synthesis of biologically active molecules or as an intermediate in agrochemical production.

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  • 245323-38-0 Structure
  • Basic information

    1. Product Name: (S)-4-TERT-BUTOXY-4-OXO-2-PHENYLBUTANOIC ACID
    2. Synonyms: (S)-4-TERT-BUTOXY-4-OXO-2-PHENYLBUTANOIC ACID
    3. CAS NO:245323-38-0
    4. Molecular Formula: C14H18O4
    5. Molecular Weight: 250.29
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 245323-38-0.mol
  • Chemical Properties

    1. Melting Point: 76.0-78.5 °C
    2. Boiling Point: 369.7±30.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.136±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 3.80±0.10(Predicted)
    10. CAS DataBase Reference: (S)-4-TERT-BUTOXY-4-OXO-2-PHENYLBUTANOIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S)-4-TERT-BUTOXY-4-OXO-2-PHENYLBUTANOIC ACID(245323-38-0)
    12. EPA Substance Registry System: (S)-4-TERT-BUTOXY-4-OXO-2-PHENYLBUTANOIC ACID(245323-38-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 245323-38-0(Hazardous Substances Data)

245323-38-0 Usage

Uses

Used in Pharmaceutical Industry:
(S)-4-TERT-BUTOXY-4-OXO-2-PHENYLBUTANOIC ACID is used as a building block for the synthesis of biologically active molecules due to its unique chemical structure and properties, which may contribute to the development of new pharmaceutical agents.
Used in Agricultural Industry:
(S)-4-TERT-BUTOXY-4-OXO-2-PHENYLBUTANOIC ACID is used as an intermediate in the production of agrochemicals, potentially enhancing the effectiveness of these products and contributing to advancements in agricultural technology.
However, it is important to note that further research is required to fully explore and understand the potential applications and effects of (S)-4-TERT-BUTOXY-4-OXO-2-PHENYLBUTANOIC ACID in these industries.

Check Digit Verification of cas no

The CAS Registry Mumber 245323-38-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,4,5,3,2 and 3 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 245323-38:
(8*2)+(7*4)+(6*5)+(5*3)+(4*2)+(3*3)+(2*3)+(1*8)=120
120 % 10 = 0
So 245323-38-0 is a valid CAS Registry Number.

245323-38-0Relevant articles and documents

Preparation of chiral 3-arylpyrrolidines via the enantioselective 1,4-addition of arylboronic acids to fumaric esters catalyzed by Rh(I)/chiral diene complexes

Chung, Yu-Chiang,Janmanchi, Damodar,Wu, Hsyueh-Liang

, p. 2766 - 2769 (2012/07/17)

A highly efficient rhodium-catalyzed protocol for the preparation of 2-arylsuccinic esters and 3-arylpyrrolidines of high optical purity has been achieved. In the presence of 1 mol % of a chiral diene/Rh(I) catalyst, asymmetric addition of various arylbor

COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS

-

Page/Page column 204, (2010/06/22)

The present invention is directed to novel compounds of formula (I) and their use in treating metabolic diseases.

A general method for the synthesis of enantiomerically pure β- substituted, β-amino acids through α-substituted succinic acid derivatives

Evans, David A.,Wu, Leester D.,Wiener, John J. M.,Johnson, Jeffrey S.,Ripin, David H. B.,Tedrow, Jason S.

, p. 6411 - 6417 (2007/10/03)

A general procedure for the synthesis of enantiopure β-substituted, β- amino acids is presented. Alkylation of the sodium enolates derived from chiral N-acyloxazolidinone imides 2 (R = Me, i-Pr, t-Bu, Ph, Bn) with tert- butyl bromoacetate afforded the 2-substituted succinate derivatives 3 in good yields (82-89%) and with high selectivity (≥ 93;7). Following hydrolysis, Curtius rearrangement of the resulting carboxylic acid provided the enantiopure benzyloxycarbonyl (Cbz)-protected β-amino esters 6 in good yields (74-79%).

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