14036-56-7

Basic information

• Product Name: N-Butyl-3-buteNoate
• Synonyms: N-Butyl-3-buteNoate
• CAS NO: 14036-56-7
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 141.18762
• Mol File: 14036-56-7.mol

Chemical Properties

• Boiling Point: 166.2°C at 760 mmHg
• Flash Point: 56.5°C
• Appearance: /
• Density: 0.893g/cm³
• Vapor Pressure: 1.81mmHg at 25°C
• Refractive Index: 1.423
• CAS DataBase Reference: N-Butyl-3-buteNoate(CAS DataBase Reference)
• NIST Chemistry Reference: N-Butyl-3-buteNoate(14036-56-7)
• EPA Substance Registry System: N-Butyl-3-buteNoate(14036-56-7)

Safety Data

• Hazardous Substances Data: 14036-56-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h4H,2-3,5-7H2,1H3

Upstream product

• 33574-02-6 cyclopropylmethyl iodide 
• 201230-82-2 carbon monoxide 
• 71-36-3 butan-1-ol 
• 107-05-1 3-chloroprop-1-ene 

Downstream Products

• 190447-72-4 [3-(4-tert-Butoxycarbonylamino-phenyl)-4,5-dihydro-isoxazol-5-yl]-acetic acid butyl ester 
• 1268451-24-6 n-butyl (E)-3-(2-carbamoylphenyl)acrylate 
• 54966-44-8 butyl (E)-4-phenyl-3-butenoate 

Relevant articles and documents

Pd/light-accelerated atom-transfer carbonylation of alkyl iodides: Applications in multicomponent coupling processes leading to functionalized carboxylic acid derivatives

The atom-transfer carbonylation reaction of various alkyl iodides thereby leading to carboxylic acid esters was effectively accelerated by the addition of transition-metal catalysts under photoirradiation conditions. By using a combined Pd/hv reaction system, vicinal C-functionalization of alkenes was attained in which α-substituted iodoalkanes, alkenes, carbon monoxide, and alcohols were coupled to give functionalized esters. When alkenyl alcohols were used as acceptor alkenes, three-component coupling reactions, which were accompanied by intramolecular esterification, proceeded to give lactones. Pd-dimer complex [Pd2(CNMe)6][PF6]2, which is known to undergo homolysis under photoirradiation conditions, worked quite well as a catalyst in these three- or four-component coupling reactions. In this metal/radical hybrid system, both Pd radicals and acyl radicals are key players and a stereochemical study confirmed the carbonylation step proceeded through a radical carbonylation mechanism. Light, camera, ATCion: Atom-transfer carbonylation of alkyl iodides to afford carboxylic acid esters was accelerated by the addition of transition-metal catalysts under photoirradiation. The carbonylation step proceeded through a radical mechanism. Copyright

One-pot ester synthesis from allyl and benzyl halides and alcohols by palladium-catalyzed carbonylation

A mild and efficient one-pot synthesis of esters based on the Pd-catalyzed alkoxy- and aryloxycarbonylation of allylic and benzylic halides is described. The methodology has been applied to primary, secondary, and tertiary alcohols as well as to phenol derivatives. The O-protection of some biologically relevant molecules is also reported. Georg Thieme Verlag Stuttgart New York.