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Atomfair 1-(Ethoxycarbonyl)cyclopropanecarboxylic acid C7H10O4 CAS 3697-66-3

1-(Ethoxycarbonyl)cyclopropanecarboxylic acid (CAS No. 3697-66-3) is a high-purity cyclopropane derivative with the molecular formula C7H10O4. This compound features both an ethoxycarbonyl and a carboxylic acid functional group attached to a cyclopropane ring, making it a versatile intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 158.15 g/mol, it is supplied as a white to off-white crystalline powder with >98% purity (HPLC). Ideal for researchers in medicinal chemistry, this product is rigorously tested for consistency, stability, and low trace metal content. Store in a cool, dry place under inert conditions to maintain optimal shelf life.

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Description

1-(Ethoxycarbonyl)cyclopropanecarboxylic acid (CAS No. 3697-66-3) is a high-purity cyclopropane derivative with the molecular formula C7H10O4. This compound features both an ethoxycarbonyl and a carboxylic acid functional group attached to a cyclopropane ring, making it a versatile intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 158.15 g/mol, it is supplied as a white to off-white crystalline powder with >98% purity (HPLC). Ideal for researchers in medicinal chemistry, this product is rigorously tested for consistency, stability, and low trace metal content. Store in a cool, dry place under inert conditions to maintain optimal shelf life.

Properties

  • CAS Number: 3697-66-3
  • Complexity: 193
  • IUPAC Name: 1-ethoxycarbonylcyclopropanecarboxylic acid
  • InChI: InChI=1S/C7H10O4/c1-2-11-6(10)7(3-4-7)5(8)9/h2-4H2,1H3,(H,8,9)
  • InChI Key: QQUZUWSSLUHHBP-UHFFFAOYSA-N
  • Exact Mass: 158.05790880
  • Molecular Formula: C7H10O4
  • Molecular Weight: 158.15
  • SMILES: CCOC(=O)C1(CC1)C(=O)O
  • Topological: 63.6
  • Monoisotopic Mass: 158.05790880
  • Synonyms: 1-(Ethoxycarbonyl)cyclopropanecarboxylic acid, 3697-66-3, 1-(ethoxycarbonyl)cyclopropane-1-carboxylic acid, DTXSID501251691, DTXCID101682484, 893-908-9, 1-ethoxycarbonylcyclopropanecarboxylic acid, 1-ethoxycarbonylcyclopropane-1-carboxylic Acid, MFCD08690114, SCHEMBL374081, QQUZUWSSLUHHBP-UHFFFAOYSA-N, BCP18733, BBL103638, STL557448, AKOS006239779, 1-carboethoxycyclopropanecarboxylic acid, AB48326, CS-W000595, DA-17776, DS-15716, SY028392, 1-(Ethoxycarbonyl)cyclopropanecarboxylicacid, DB-362991, 1-(ethoxycarbonyl)cyclopropane carboxylic acid, EN300-55506, F31334, Z838154042

Application

1-(Ethoxycarbonyl)cyclopropanecarboxylic acid serves as a key building block in the synthesis of cyclopropane-containing pharmaceuticals and agrochemicals. Its strained ring structure and dual functional groups enable its use in cyclopropanation reactions and as a precursor for heterocyclic compounds. Researchers utilize it in drug discovery for modifying pharmacokinetic properties of lead molecules. It is also employed in material science for designing rigid, functionalized polymers.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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