5327-02-6

Basic information

• Product Name: 3-(hexyloxy)propiononitrile
• Synonyms: 3-(hexyloxy)propiononitrile;2-Cyanoethylhexyl ether;3-Hexyloxypropionitrile
• CAS NO: 5327-02-6
• Molecular Formula: C₉H₁₇NO
• Molecular Weight: 155.23738
• EINECS: 226-208-3
• Mol File: 5327-02-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 252.7°Cat760mmHg
• Flash Point: 105.4°C
• Appearance: /
• Density: 0.877g/cm³
• Vapor Pressure: 0.019mmHg at 25°C
• Refractive Index: 1.426
• CAS DataBase Reference: 3-(hexyloxy)propiononitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(hexyloxy)propiononitrile(5327-02-6)
• EPA Substance Registry System: 3-(hexyloxy)propiononitrile(5327-02-6)

Safety Data

• Hazardous Substances Data: 5327-02-6(Hazardous Substances Data)

Usage

General Description

3-(hexyloxy)propiononitrile is a chemical compound with the molecular formula C9H17NO, and it is commonly used as an intermediate in the synthesis of pharmaceuticals and organic compounds. It is a colorless to pale yellow liquid with a mild odor, and it is insoluble in water but soluble in organic solvents. 3-(hexyloxy)propiononitrile is known for its ability to react with various other chemicals to form complex organic molecules, making it a valuable tool in the production of a wide range of pharmaceuticals and industrial chemicals. Additionally, it is important to handle this chemical with care, as it can be harmful if it comes into direct contact with skin or if it is inhaled.

InChI:InChI=1/C9H17NO/c1-2-3-4-5-8-11-9-6-7-10/h2-6,8-9H2,1H3

Upstream product

• 107-13-1 acrylonitrile 
• 111-27-3 hexan-1-ol 

Downstream Products

• 16728-61-3 3-hexyloxypropylamine 

Relevant articles and documents

KOtBu-Catalyzed Michael Addition Reactions Under Mild and Solvent-Free Conditions

Designed transition metal complexes predominantly catalyze Michael addition reactions. Inorganic and organic base-catalyzed Michael addition reactions have been reported. However, known base-catalyzed reactions suffer from the requirement of solvents, additives, high pressure and also side-reactions. Herein, we demonstrate a mild and environmentally friendly strategy of readily available KOtBu-catalyzed Michael addition reactions. This simple inorganic base efficiently catalyzes the Michael addition of underexplored acrylonitriles, esters and amides with (oxa-, aza-, and thia-) heteroatom nucleophiles. This catalytic process proceeds under solvent-free conditions and at room temperature. Notably, this protocol offers an easy operational procedure, broad substrate scope with excellent selectivity, reaction scalability and excellent TON (>9900). Preliminary mechanistic studies revealed that the reaction follows an ionic mechanism. Formal synthesis of promazine is demonstrated using this catalytic protocol.

Ketone precursors for organoleptic compounds

The invention discloses ketones of formula I: wherein, Y is an optionally substituted alkyl, cycloalkyl, or cycloalkylalkyl, wherein each alkyl group is straight or branched and each alkyl and cycloalkyl group is saturated or unsaturated; R1is hydrogen or a C1-6alkyl group that is substituted, saturated or unsaturated, straight or branched; A is a chromophoric substituted aromatic ring or ring system; n is an integer; and with the proviso that formula I is not 2-ethoxy-1-phenyl-ethanone. These compositions are useful for the delivery of organoleptic compounds, especially of flavors, fragrances, masking agents and antimicrobial compounds.