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(S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester is a chemical compound with the molecular formula C11H13NO5. It is an ester of (S)-2-methoxy-3-(4-nitrophenyl)propanoic acid, which is a chiral compound with potential pharmaceutical applications. The presence of the nitrophenyl group makes (S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester potentially useful in the synthesis of pharmaceuticals or as a research tool in medicinal chemistry. As an ester, it is likely to have low water solubility and be more readily absorbed by the body. The specific properties and potential applications of (S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester may vary depending on its use in pharmaceutical research or production.

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  • 1021692-54-5 Structure
  • Basic information

    1. Product Name: (S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester
    2. Synonyms: (S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester
    3. CAS NO:1021692-54-5
    4. Molecular Formula:
    5. Molecular Weight: 239.228
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1021692-54-5.mol
  • Chemical Properties

    1. Melting Point: 147 °C
    2. Boiling Point: 362.5±27.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: 1.234±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: (S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester(1021692-54-5)
    11. EPA Substance Registry System: (S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester(1021692-54-5)
  • 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: 1021692-54-5(Hazardous Substances Data)

1021692-54-5 Usage

Uses

Used in Pharmaceutical Synthesis:
(S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester is used as an intermediate in the synthesis of pharmaceuticals for its potential to be incorporated into various drug molecules due to its unique structural features.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, (S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester is used as a research tool to study the effects of its structural components on biological activity and to develop new drug candidates with improved properties.
Used in Drug Delivery Systems:
(S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester may be used as a component in drug delivery systems, potentially enhancing the bioavailability and targeting of therapeutic agents due to its ester nature and the presence of the nitrophenyl group.
Used in Chemical Analysis:
(S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester can also be used in chemical analysis as a reference material or standard for the development and validation of analytical methods, particularly in the field of chiral separation and analysis.
Used in the Production of Chiral Molecules:
(S)-2-methoxy-3-(4-nitrophenyl)propanoic acid methyl ester is used as a starting material or building block in the production of chiral molecules, which are essential in various industries, including pharmaceuticals, agrochemicals, and fragrances, due to their specific biological activities and enantioselective properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1021692-54-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,2,1,6,9 and 2 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1021692-54:
(9*1)+(8*0)+(7*2)+(6*1)+(5*6)+(4*9)+(3*2)+(2*5)+(1*4)=115
115 % 10 = 5
So 1021692-54-5 is a valid CAS Registry Number.

1021692-54-5Relevant articles and documents

Synthesis and evaluation of some novel isochroman carboxylic acid derivatives as potential anti-diabetic agents

Lakshminarayana,Rajendra Prasad,Gharat, Laxmikant,Thomas, Abraham,Ravikumar,Narayanan, Shridhar,Srinivasan,Gopalan, Balasubramanian

experimental part, p. 3147 - 3157 (2009/12/04)

A series of novel isochroman mono-carboxylic acid derivatives were synthesized, characterized and evaluated for their ability to inhibit protein tyrosine phosphatase 1B (PTP1B) in vitro in order to use them as potential anti-diabetic agents. Analysis of structure-activity relationships led to the identification of potent compound 4n which inhibited PTP1B with IC50 value of 51.63 ± 0.91 nM. In general, high potency was associated with a dithiolane ring with a spacer of five carbons to the isochroman ring. Compound 4n has been selected for in vivo evaluation as drug candidate for anti-diabetic activity.

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