Ethyl (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-1-EN-1-YL)penta-2,4-dienoate

Base Information

• Chemical Name: Ethyl (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-1-EN-1-YL)penta-2,4-dienoate
• CAS No.: 5452-61-9
• Molecular Formula: C₁₇H₂₆O₂
• Molecular Weight: 262.392
• Hs Code.: 2916209090
• NSC Number: 18948
• DSSTox Substance ID: DTXSID80417854
• Nikkaji Number: J1.003.608I,J260.195H,J756.870C,J818.762B,J818.763K
• Wikidata: Q82228068
• Mol file: 5452-61-9.mol

Synonyms:5452-61-9;ethyl (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoate;ETHYL (2E,4E)-3-METHYL-5-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)PENTA-2,4-DIENOATE;all-trans-Ethyl-beta-ionylideacetate;ALL-TRANS-ETHYL-?-IONYLIDEACETATE;all-trans-Ethyl-|A-ionylideacetate;NSC18948;SCHEMBL5444697;SCHEMBL8476802;DTXSID80417854;DNGMNNGDXRUXFV-OKLKQMLOSA-N;NSC-18948;all-trans-Ethyl- beta -ionylideacetate;(2E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadienoic acid ethyl ester;(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadienoic acid ethyl ester;(2Z)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadienoic acid ethyl ester;(2Z,4E)-5-(1,1,3-Trimethyl-2-cyclohexen-2-yl)-3-methyl-2,4-pentadienoic acid ethyl ester;3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadienoic acid ethyl ester

Chemical Property of Ethyl (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-1-EN-1-YL)penta-2,4-dienoate

Chemical Property:

• Vapor Pressure: 4.2E-05mmHg at 25°C
• Melting Point: 100-1040C/0.06-0.1 Torr
• Boiling Point: 351.1°Cat760mmHg
• Flash Point: 176.1°C
• PSA: 26.30000
• Density: 0.973g/cm³
• LogP: 4.57860
• Storage Temp.: Amber Vial, -20°C Freezer
• Solubility.: Dichloromethane, Ethyl Acetate, Hexane
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 262.193280068
• Heavy Atom Count: 19
• Complexity: 423

Purity/Quality:

99% ^*data from raw suppliers

all-trans-Ethyl-β-ionylideacetate ^*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=CC1=C(CCCC1(C)C)C
• Isomeric SMILES: CCOC(=O)/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
• Uses: all-trans-Ethyl-β-ionylideacetate (cas# 5452-61-9) is a compound useful in organic synthesis.

Technology Process of Ethyl (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-1-EN-1-YL)penta-2,4-dienoate

There total 3 articles about Ethyl (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-1-EN-1-YL)penta-2,4-dienoate 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:

diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) + 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (79-77-6,14901-07-6) → Ethyl-β-jonylidenacetat (5452-61-9)

Guidance literature:

With sodium hydroxide; In pyridine;

DOI:10.3891/acta.chem.scand.28b-0349

Reference yield:

4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (79-77-6,14901-07-6) + 1-ethoxyacetylene (927-80-0) → Ethyl-β-jonylidenacetat (5452-61-9)

Guidance literature:

With boron trifluoride diethyl etherate; In diethyl ether;

Reference yield:

→ Ethyl-β-jonylidenacetat (5452-61-9)

Guidance literature:

Lithiumtrimethylsilylessigsaeureethylester (1), β-Ionon;

DOI:10.1246/bcsj.47.2529

upstream raw materials:

diethoxyphosphoryl-acetic acid ethyl ester

4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

1-ethoxyacetylene

Refernces