Ethyl 2-methyl-3,4-pentadienoate

Base Information

• Chemical Name: Ethyl 2-methyl-3,4-pentadienoate
• CAS No.: 60523-21-9
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• Hs Code.: 2916190090
• European Community (EC) Number: 262-278-1
• UNII: ZBL6PWV9J9
• DSSTox Substance ID: DTXSID30866813
• Nikkaji Number: J65.564C
• Wikidata: Q27295278
• Metabolomics Workbench ID: 47685
• Mol file: 60523-21-9.mol

Synonyms:Ethyl 2-methyl-3,4-pentadienoate;60523-21-9;Ethyl 2-methylpenta-3,4-dienoate;3,4-Pentadienoic acid, 2-methyl-, ethyl ester;FEMA No. 3678;berry pentadienoate;2-Methyl-3,4-pentadienoic acid, ethyl ester;BRN 1926000;FEMA 3678;EINECS 262-278-1;UNII-ZBL6PWV9J9;ZBL6PWV9J9;2-METHYL-3,4-PENTADIENOIC ACID ETHYL ESTER;SCHEMBL1532567;DTXSID30866813;LMFA07010858;AKOS006272121;ETHYL-2-METHYL-3,4-PENTADIENOATE;LS-101429;FT-0640695;1-(3-Methylaminopropyl)adamantanehydrochloride;3,4-Pentadienoic acid,2-methyl-,ethyl ester;EN300-7461220;(+/-)-ETHYL 2-METHYL-3,4-PENTADIENOATE;ETHYL 2-METHYL-3,4-PENTADIENOATE [FHFI];Q27295278

Chemical Property of Ethyl 2-methyl-3,4-pentadienoate

Chemical Property:

• Appearance/Colour: colorless to pale yellow
• Vapor Pressure: 1.32mmHg at 25°C
• Refractive Index: 1.426
• Boiling Point: 172.6 °C at 760 mmHg
• Flash Point: 69.3 °C
• PSA: 26.30000
• Density: 0.886 g/cm³
• LogP: 1.52670
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 155

Purity/Quality:

99.9% ^*data from raw suppliers

ETHYL-2-METHYL-3,4-PENTADIENOATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)C=C=C

Technology Process of Ethyl 2-methyl-3,4-pentadienoate

There total 2 articles about Ethyl 2-methyl-3,4-pentadienoate 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%

propargyl alcohol (107-19-7) + Triethyl orthopropionate (115-80-0) → ethyl 2-methyl-3,4-pentadienoate (60523-21-9)

Guidance literature:

With acetic acid; Heating;

DOI:10.1055/s-0029-1219554

Reference yield:

→ ethyl 2-methyl-3,4-pentadienoate (60523-21-9)

Guidance literature:

Reference yield: 58.0%

iodobenzene (591-50-4) + ethyl 2-methyl-3,4-pentadienoate (60523-21-9) → ethyl 4-phenyl-2-methyl-2(E),4-pentadienoate

Guidance literature:

With potassium carbonate; silver carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In acetonitrile; at 75 ℃;

DOI:10.1021/ol0473389

upstream raw materials:

propargyl alcohol

Triethyl orthopropionate

Downstream raw materials:

cis-N-(p-Toluenesulfonyl)-4-methyl-5-vinyl-6-aza-2-oxacyclohexan-1-one

trans-N-(p-Toluenesulfonyl)-4-methyl-5-vinyl-6-aza-2-oxacyclohexan-1-one

2-methyl-3,4-pentadienyl tosylcarbamate

1,1,2-trimethyl-3,4-pentadienyl tosylcarbamate