Ethyl 2-formylcyclopropanecarboxylate

HCID 89334CAS 20417-61-2

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C1CC1C=O
InChIKey: MDWXTLNIZCHBJE-UHFFFAOYSA-N
Molecular formula: C7H10O3
Average molar mass: 142.15 g/mol
Monoisotopic mass: 142.06299418

Names & identifiers

Preferred name: Ethyl 2-formylcyclopropanecarboxylate
IUPAC: ethyl 2-formylcyclopropane-1-carboxylate
English name: Ethyl 2-formyl-1-cyclopropanecarboxylate
Molecular formula: C7H10O3
Molecular weight: 142.15

Names & synonyms

20417-61-2Ethyl 2-formylcyclopropanecarboxylateethyl 2-formylcyclopropane-1-carboxylateEthyl 2-formyl-1-cyclopropanecarboxylateCyclopropanecarboxylic acid, 2-formyl-, ethyl esterMFCD000012852-Formylcyclopropane-1-carboxylic Acid Ethyl EsterCyclopropanecarboxylic acid, 2-formyl-, ethyl ester, (1R-trans)- (9CI)Ethyl 2-formylcyclopropanecarboxylate, predominantly transEthyl-2-Formyl-1-CyclopropanecarboxylateEINECS 243-805-4ethyl (1S,2S)-2-formylcyclopropane-1-carboxylate

Show more names

2-formyl-1-cyclopropanethyl formateEthyl 2-formyl-1-cyclopropanecarboxylEthyl 2-formylcyclopropan-carboxylate2-Formylcyclopropanecarboxylic acid ethyl ester

SCHEMBL208304DTXSID90942586Ethyl2-formylcyclopropanecarboxylateALBB-037191AKOS015915477DS-9625ethyl 2-formyl-1-cyclopropane carboxylateethyl 2-formyl-1-cyclopropane-carboxylate

Database identifiers

CAS: 20417-61-2
PubChem CID: 89334
DTXSID: DTXSID90942586
EC Number: 243-805-4
Nikkaji: J280.591J

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 153

Physicochemical properties

Boiling point: 60 · 60-65 °C0.6 mm Hg(lit.)
Density: 1.074 g/mL · 1.074 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.452(lit.)
Flash point: 184 °F · 184 °F
storage temp.: 2 · 2-8°C
form: liquid
Appearance: Colorless to light yellow Liquid
InChI: 1S/C7H10O3/c1-2-10-7(9)6-3-5(6)4-8/h4-6H,2-3H2,1H3
InChIKey: MDWXTLNIZCHBJE-UHFFFAOYSA-N
SMILES: CCOC(=O)C1CC1C=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
WGK Germany: 3 · 3
HS Code: 2918300090 · 2918300090
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

wgk: 3
hs_code: 2918300090
Storage Class: 10 - Combustible liquids

Chemistry & industry

Applications · 3 items

Uses2-Formylcyclopropane-1-carboxylic Acid Ethyl Ester acts as a reagent for the design, synthesis and biological evaluation of first-in-class dual acting histone deacetylase (HDACs) and phosphodiesterase 5 (PDE5) inhibitors for treatment of Alzheimer’s disease.

UsesEthyl 2-formyl-1-cyclopropanecarboxylate was used in the preparation of ethyl trans-2-(4-(methylphenyl)sulfonyl-4,5-dihydrooxazol-5-yl)cyclopropanecarboxylate.

General DescriptionEthyl 2-formyl-1-cyclopropanecarboxylate was formed by acid catalyzed reaction between acrolein and ethyl diazoacetate.