Ethyl 4-pentenoate

Base Information

• Chemical Name: Ethyl 4-pentenoate
• CAS No.: 1968-40-7
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• Hs Code.: 29153900
• European Community (EC) Number: 217-818-0
• UNII: 210UM0F8JP
• DSSTox Substance ID: DTXSID7062089
• Nikkaji Number: J199.790D
• Wikidata: Q27253506
• Metabolomics Workbench ID: 44980
• Mol file: 1968-40-7.mol

Synonyms:Ethyl 4-pentenoate;1968-40-7;Ethyl pent-4-enoate;4-Pentenoic acid ethyl ester;4-Pentenoic acid, ethyl ester;Ethyl pent-4-en-1-oate;4-Ethoxycarbonylbut-1-ene;ethylpent-4-enoate;pent-4-enoic acid ethyl ester;UNII-210UM0F8JP;210UM0F8JP;EINECS 217-818-0;AI3-37200;Ethyl allylacetate;Ethyl4-pentenoate;ethyl 4-pentenate;SCHEMBL356135;CS-WAA0218;DTXSID7062089;Ethyl 4-pentenoate, AldrichCPR;FEMA NO. 4360;SCHEMBL13123536;PTVSRINJXWDIKP-UHFFFAOYSA-;AMY3888;CHEBI:173494;ETHYL 4-PENTENOATE [FHFI];ethyl 4-pentenoate, No Antioxidant;LMFA07010870;MFCD00036562;AKOS028108295;GS-6009;E0715;FT-0625788;H10612;J-012725;Q27253506

Chemical Property of Ethyl 4-pentenoate

Chemical Property:

• Vapor Pressure: 13.7mmHg at 25°C
• Refractive Index: 1.4170
• Boiling Point: 122.8 °C at 760 mmHg
• Flash Point: 33.7 °C
• PSA: 26.30000
• Density: 0.898 g/cm³
• LogP: 1.51570
• Water Solubility.: Miscible with alcohol. Immiscible with water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

4-PentenoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R10:Flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 10-36
• Safety Statements: 16-26-60-43-33-7

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC=C
• Uses: Ethyl 4-pentenoate is found in leaf oil of Prunus phaeosticta phaeosticta from Taiwan. It is also used in the preparation of 5-iodomethyl-dihydro-furan-2-one by reacting with iodine.

Technology Process of Ethyl 4-pentenoate

There total 46 articles about Ethyl 4-pentenoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-tributylstannanylmethyl-cyclopropanecarboxylic acid methyl ester → ethyl 4-pentenoate (1968-40-7)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane;

DOI:10.1016/j.tetlet.2005.03.023

Reference yield: 100.0%

2-tributylstannanylmethyl-cyclopropanecarboxylic acid ethyl ester → ethyl 4-pentenoate (1968-40-7)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane;

DOI:10.1016/j.tetlet.2005.03.023

Reference yield: 100.0%

2-tributylstannanylmethyl-cyclopropanecarboxylic acid tert-butyl ester → ethyl 4-pentenoate (1968-40-7)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane;

DOI:10.1016/j.tetlet.2005.03.023

upstream raw materials:

pent-4-enoic acid

ethanol

2-bromopent-4-enoic acid ethyl ester

bis-(5-ethoxycarbonyl-valeryl)-peroxide

Downstream raw materials:

2-methylhex-5-en-2-ol

4-(4-isopropyl-phenyl)-valeric acid ethyl ester

4-(2-methoxy-5-methyl-phenyl)-valeric acid ethyl ester

4-(4-methoxy-3-methyl-phenyl)-valeric acid ethyl ester