Ethyl 2-acetylpent-4-enoate

Base Information

• Chemical Name: Ethyl 2-acetylpent-4-enoate
• CAS No.: 610-89-9
• Deprecated CAS: 84984-48-5
• Molecular Formula: C9H14O3
• Molecular Weight: 170.208
• Hs Code.: 2918300090
• European Community (EC) Number: 210-237-3
• NSC Number: 10814
• UNII: CVP070FK35
• DSSTox Substance ID: DTXSID40870683
• Nikkaji Number: J24.746D
• Mol file: 610-89-9.mol

Synonyms:Ethyl 2-acetylpent-4-enoate;610-89-9;Ethyl 2-allylacetoacetate;4-Pentenoic acid, 2-acetyl-, ethyl ester;2-ACETYL-PENT-4-ENOIC ACID ETHYL ESTER;Ethyl .alpha.-allylacetoacetate;NSC 10814;Ethyl alpha-allylacetoacetate;Ethyl 2-acetyl-4-pentenoate;Ethyl 2-allyl-3-oxobutanoate;CVP070FK35;2-Acetyl-4-pentenoic acid ethyl;EINECS 210-237-3;NSC-10814;AI3-11071;Ethyl2-acetylpent-4-enoate;UNII-CVP070FK35;ethyl 2-allyl-3-oxo-butyrate;Ethyl 2-ethanoylpent-4-enoate;SCHEMBL3607061;Ethyl 2-acetyl-4-pentenoate #;DTXSID40870683;CS-M1708;NSC10814;BBL027912;MFCD00026877;STK501573;AKOS000321314;AKOS016050190;4-Pentenoic acid,2-acetyl-,ethyl ester;84984-48-5;VS-08618;BB 0259318;ETHYL 2-ALLYLACETOACETATE, (+/-)-;FT-0679073;(S)-3-Amino-3-(4-cyano-phenyl)-propionicacid;3885-50-5

Chemical Property of Ethyl 2-acetylpent-4-enoate

Chemical Property:

• Vapor Pressure: 0.185mmHg at 25°C
• Refractive Index: 1.435
• Boiling Point: 211.2°C at 760 mmHg
• PKA: 11.48±0.46(Predicted)
• Flash Point: 81.7°C
• PSA: 43.37000
• Density: 0.982g/cm³
• LogP: 1.33080
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 170.094294304
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 2-acetylpent-4-enoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC=C)C(=O)C

Technology Process of Ethyl 2-acetylpent-4-enoate

There total 34 articles about Ethyl 2-acetylpent-4-enoate 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: 99.0%

Allyl acetate (591-87-7) + ethyl acetoacetate (141-97-9) → 2-acetyl-pent-4-enoic acid ethyl ester (610-89-9,84984-48-5)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 70 ℃; for 20h;

DOI:10.1002/adsc.201300063

Reference yield: 92.0%

ethyl acetoacetate (141-97-9) + allyl bromide (106-95-6) → 2-acetyl-pent-4-enoic acid ethyl ester (610-89-9,84984-48-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 6h;

DOI:10.1007/s10562-017-2185-3

Reference yield: 92.0%

ethyl acetoacetate (141-97-9) + allyl alcohol (107-18-6) → ethyl diallyl acetoacetate (3508-77-8) + 2-acetyl-pent-4-enoic acid ethyl ester (610-89-9,84984-48-5)

Guidance literature:

With pyridine; magnesium sulfate; 1,2-(p-MeOC₆H₄)2cyclobuten[=P(2,4,6-tri-t-BuPh)]2PdOTf; at 50 ℃; for 3h;

DOI:10.1021/ja0274406

upstream raw materials:

allyl iodid

sodium ethyl acetylacetate enolate

3-allyloxy-crotonic acid ethyl ester

ethyl acetoacetate

Downstream raw materials:

5-allyl-2,4-dimethyl-1,6-dihydropyrimidin-6-one

4-allyl-2,5-dimethyl-1,2-dihydro-pyrazol-3-one

ethyl 4-pentenoate

ethyl acetate