(2E)-N-Cyclopropyl-2-hexenamide

Basic Information

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CAS Number

950986-78-4

Molecular Formula

C9H15NO

Molecular Weight

153.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Density

0.97±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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CCCC=CC(=O)NC1CC1

InChI

InChI=1S/C9H15NO/c1-2-3-4-5-9(11)10-8-6-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,10,11)/b5-4+

InChIKey

OOWKCUTWLYXPLW-SNAWJCMRSA-N

LogP

1.6213

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

159

Synonyms & References

English

2-Hexenamide,N-cyclopropyl-, (2E)-
1024616-26-9
(2E)-N-CYCLOPROPYLHEX-2-ENAMIDE
Trans-N-cyclopropyl-2-hexenamide
A847808
OOWKCUTWLYXPLW-SNAWJCMRSA-N
N-cyclopropylhex-2-enamide
AM20120641
AKOS015900517
SCHEMBL328974
Q-103239
N-Cyclopropyl-2-hexenamide;Hex-2-enoic acid cyclopropylaMide
(E)-N-cyclopropylhex-2-enamide
SCHEMBL328973
950986-78-4
(E)-N-Cyclopropylhex-2-enamide

MDL Number

MFCD11865327

FAQ

What are the physical and chemical properties of (2E)-N-Cyclopropyl-2-hexenamide (CAS: 950986-78-4)?

(2E)-N-Cyclopropyl-2-hexenamide (CAS: 950986-78-4) is a colorless liquid with a characteristic odor. It has a molecular weight of approximately 126.2 g/mol and is moderately soluble in water but highly soluble in organic solvents like ethanol and acetone. This compound is reactive towards nucleophiles and exhibits electrophilic addition and substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from strong acids and bases.

How is (2E)-N-Cyclopropyl-2-hexenamide (CAS: 950986-78-4) typically synthesized?

(2E)-N-Cyclopropyl-2-hexenamide (CAS: 950986-78-4) can be synthesized via the condensation of hexanoyl chloride with cyclopropylamine using a catalytic amount of an organic base like pyridine. The reaction is typically carried out in an inert solvent like dichloromethane at room temperature. The yield is usually around 70-80%, with high selectivity and good purity after simple purification steps like recrystallization.

What industries use (2E)-N-Cyclopropyl-2-hexenamide (CAS: 950986-78-4)?

(2E)-N-Cyclopropyl-2-hexenamide (CAS: 950986-78-4) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the polymer industry for the modification of polymer properties and in sensor technology for its unique reactivity. Additionally, it has potential applications in the semiconductor industry due to its electronic properties.

What precautions should be taken when handling (2E)-N-Cyclopropyl-2-hexenamide (CAS: 950986-78-4)?

When handling (2E)-N-Cyclopropyl-2-hexenamide (CAS: 950986-78-4), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from strong acids, bases, and oxidizers. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage information.