Description

(2E)-3-Cyclopentylprop-2-enenitrile (CAS: 591769-05-0) is a high-purity organic compound with the molecular formula C₈H₁₁N, widely used in pharmaceutical and chemical research. This unsaturated nitrile features a cyclopentyl group conjugated to an acrylonitrile moiety, making it a valuable intermediate in synthetic chemistry. Its trans-configuration ensures consistent reactivity for applications such as Michael additions, cyclizations, and cross-coupling reactions. Packaged under inert conditions to maintain stability, this product is ideal for researchers requiring precise structural control in heterocycle synthesis, agrochemical development, and material science. Available in quantities from milligrams to kilograms, it is supplied with comprehensive analytical data (GC/MS, NMR, HPLC) to guarantee quality.

Properties

• CAS Number: 591769-05-0
• Complexity: 143
• IUPAC Name: (E)-3-cyclopentylprop-2-enenitrile
• InChI: InChI=1S/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+
• InChI Key: VMELXYJYSXXORF-ZZXKWVIFSA-N
• Exact Mass: 121.089149355
• Molecular Formula: C8H11N
• Molecular Weight: 121.18
• SMILES: C1CCC(C1)/C=C/C#N
• Topological: 23.8
• Monoisotopic Mass: 121.089149355
• Synonyms: 591769-05-0, (2E)-3-cyclopentylprop-2-enenitrile, DTXSID40613678, DTXCID80564433, 3-Cyclopentylacrylonitrile, (E)-3-cyclopentylacrylonitrile, 3-cyclopentylprop-2-enenitrile, (E)-3-cyclopentylprop-2-enenitrile, 1236033-37-6, (2E)-3-cyclopentylacrylonitrile, MFCD11857755, 2-Propenenitrile, 3-cyclopentyl-, 3-cyyclopentylacrylonitrile, J8BYJ7TMY3, SCHEMBL99596, 3-cyclopentyl-2-Propenenitrile, 3-(Cyclopentyl)prop-2-enenitrile, VMELXYJYSXXORF-ZZXKWVIFSA-N, BCP15525, (E)-3-Cyclopentyl-2-propenenitrile, 3-Cyclopentylacrylonitrile, AldrichCPR, AKOS011598462, DS-8986, TRANS-3-CYCLOPENTYLACRYLONITRILE, FC148590, LS-13433, 2-Propenenitrile, 3-cyclopentyl-, (2E)-, DB-092460, CS-0008245, P20369

(2E)-3-Cyclopentylprop-2-enenitrile serves as a versatile building block in medicinal chemistry for synthesizing cyclopentane-containing scaffolds. It is employed in palladium-catalyzed coupling reactions to construct complex molecules for drug discovery. Researchers also utilize it in polymer science to modify acrylonitrile-based materials. Its conjugated system enables photochemical studies and catalytic hydrogenation experiments.

Safety and Hazards

GHS Hazard Statements

• H227 (50%): Combustible liquid [Warning Flammable liquids]
• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (25%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H331 (25%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H351 (25%): Suspected of causing cancer [Warning Carcinogenicity]
• H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
• H412 (75%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P203, P210, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P361+P364, P363, P370+P378, P391, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Aquatic Chronic 3 (75%)

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