3-Cyclopropyl-3-oxopropionic Acid Methyl Ester - ≥96%(GC) , CAS No.32249-35-7

CAS: 32249-35-7 Cat. No.: C124094 Molecular Weight: 142.15 Beilstein Registry Number: 2802889 EC Number: 608-722-3

GRADE & PURITY ≥96%(GC)

Synonyms

AC-300 | CCG-233377 | methyl 3-cyclopropyl-3-oxo-propanoate;Methyl 3-cyclopropyl-3-oxopropanoate | SY001027 | J-018687 | AKOS005255543 | J-522670 | BBL023050 | A821212 | PB26020 | FT-0615580 | DTXSID00435934 | M2277 | HMS3372P05 | methyl-3-cyclopropyl-3-o

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

A reagent for the synthesis of pitavastatin.

Specifications

Synonyms

AC-300 | CCG-233377 | methyl 3-cyclopropyl-3-oxo-propanoate;Methyl 3-cyclopropyl-3-oxopropanoate | SY001027 | J-018687 | AKOS005255543 | J-522670 | BBL023050 | A821212 | PB26020 | FT-0615580 | DTXSID00435934 | M2277 | HMS3372P05 | methyl-3-cyclopropyl-3-o

Specifications & Purity

≥96%(GC)

Biochemical and Physiological Mechanisms

Methyl 3-cyclopropyl-3-oxopropionate is a reagent used in the synthesis of pitavastatin. Pitavastatin is an HMG-CoA reductase inhibitor. HMG-CoA reductase catalyzes the first step of cholesterol synthesis.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%(GC)

Names and Identifiers

• Pubchem Sid: 488196544
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196544
• Canonical Smiles: COC(=O)CC(=O)C1CC1
• IUPAC Name: methyl 3-cyclopropyl-3-oxopropanoate
• InChIKey: RIJWDPRXCXJDPK-UHFFFAOYSA-N
• INCHI: 1S/C7H10O3/c1-10-7(9)4-6(8)5-2-3-5/h5H,2-4H2,1H3
• Isomeric SMILES: COC(=O)CC(=O)C1CC1
• Molecular Weight: 142.15
• Beilstein: 2802889
• Reaxy-Rn: 2802889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802889&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbocyclic fatty acids
• Alternative Parents: Fatty acid esters Beta-keto acids and derivatives 1,3-dicarbonyl compounds Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Carbocyclic fatty acid - Beta-keto acid - Fatty acid ester - 1,3-dicarbonyl compound - Keto acid - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic ring .
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: 1.452
• Flash Point(°F): 74°C(Lit.)
• Flash Point(°C): 74°C(Lit.)
• Boil Point(°C): 80°C/10mmHg
• Molecular Weight: 142.150 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 142.063 Da
• Monoisotopic Mass: 142.063 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 158.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1