1-(Methoxycarbonyl)cyclopropanecarboxylic acid

CAS Number: 113020-21-6

Molecular Formula: C6H8O4

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About 1-(Methoxycarbonyl)cyclopropanecarboxylic acid

1-(Methoxycarbonyl)cyclopropanecarboxylic acid (CAS 113020-21-6) is an essential cyclopropane derivative utilized as a high purity fine chemical in the synthesis of specialized pharmaceutical scaffolds, particularly where Pharma/API purity of 99% is required to ensure the structural integrity of complex carbocyclic int...

Synonyms

113020-21-6
1-(methoxycarbonyl)cyclopropanecarboxylic acid
1,1-Cyclopropanedicarboxylic acid monomethyl ester
1-(methoxycarbonyl)cyclopropane-1-carboxylic acid
Cyclopropane-1,1-dicarboxylic acid, methyl ester

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1-(Methoxycarbonyl)cyclopropanecarboxylic acid Specifications

CAS Number

113020-21-6

Molecular Formula

C6H8O4

Molecular Weight

144.13 g/mol

IUPAC Name

1-methoxycarbonylcyclopropane-1-carboxylic acid

Canonical SMILES

COC(=O)C1(CC1)C(=O)O

InChI Key

IZYOHLOUZVEIOS-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8)

MDL Number

MFCD06800496

HSN No

29181990

CAS Number

113020-21-6

Molecular Formula

C6H8O4

Molecular Weight

144.13 g/mol

IUPAC Name

1-methoxycarbonylcyclopropane-1-carboxylic acid

Canonical SMILES

COC(=O)C1(CC1)C(=O)O

InChI Key

IZYOHLOUZVEIOS-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8)

MDL Number

MFCD06800496

HSN No

29181990

Molecular Weight

144.13 g/mol

Boiling Point

245.3 °C at 760 mmHg

Density

1.419 g/cm3

PSA

63.6 Å²

Average mass

144.13 g/mol

Monoisotopic mass

144.04225873 Da

Molar mass

144.12 g/mol

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

Acute Tox. 3 (12.5%) Acute Tox. 4 (25%)

Pharmaceutical Intermediate

1-(Methoxycarbonyl)cyclopropanecarboxylic acid is used as a specialized building block in medicinal chemistry, notably as an impurity reference standard for the synthesis of the opioid analgesic oliceridine

Organic Synthesis Reagent

This compound serves as a versatile aliphatic cyclic hydrocarbon intermediate in the construction of complex organic molecules, allowing for the introduction of the cyclopropyl moiety into larger structures

Chemical Research Tool

It is utilized in early discovery research and chemical biology for the development of bioactive small molecules and the study of structure-activity relationships in cyclopropane-containing derivatives.