ethyl (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate

Base Information

• Chemical Name: ethyl (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
• CAS No.: 78548-88-6
• Molecular Formula: C₂₁H₂₄Cl₂O₃
• Molecular Weight: 395.326
• Nikkaji Number: J353.483I
• Wikidata: Q107945288
• ChEMBL ID: CHEMBL23274

Synonyms:Ro 12-7554;Ro-127554

Chemical Property of ethyl (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate

Chemical Property:

• Vapor Pressure: 2.23E-11mmHg at 25°C
• Boiling Point: 531.5°C at 760 mmHg
• Flash Point: 182.6°C
• PSA: 35.53000
• Density: 1.15g/cm³
• LogP: 6.33550
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 394.1102500
• Heavy Atom Count: 26
• Complexity: 578

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C=C(C(=C1Cl)C)OC)Cl
• Isomeric SMILES: CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C=C(C(=C1Cl)C)OC)Cl

Technology Process of ethyl (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate

There total 3 articles about ethyl (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate 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:

ethyloxirane (106-88-7) + trans-3-methyl-7-formyl-2,4,6-octatrienoic acid ethyl ester + 2,6-dichloro-4-methoxy-3-methyl-benzyl chloride (67365-44-0) + <(2,6-dichloro-3-methyl-4-methoxyphenyl)methyl>triphenylphosphonium chloride (67365-59-7) → (E,E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid ethyl ester (78548-88-6)

Guidance literature:

With triphenylphosphine; In toluene;

Reference yield:

→ (2Z,4E,6E,8E)-9-(2,6-Dichloro-4-methoxy-3-methyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid ethyl ester (67365-42-8,78548-88-6)

Guidance literature:

entspr.Aldehyd, Phosphoran;

Reference yield:

→ (2Z,4E,6E,8E)-9-(2,6-Dichloro-4-methoxy-3-methyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid ethyl ester (67365-58-6,78548-88-6)

Guidance literature:

entspr.Isomerengemisch;

upstream raw materials:

ethyloxirane

2,6-dichloro-4-methoxy-3-methyl-benzyl chloride

<(2,6-dichloro-3-methyl-4-methoxyphenyl)methyl>triphenylphosphonium chloride

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