9-(4-Methoxy-2,3,6-trimethylphenyl)-7-methyl-3-(trifluoromethyl)-2,4,6,8-nonatetraenoic acid, ethyl ester

Base Information

• Chemical Name: 9-(4-Methoxy-2,3,6-trimethylphenyl)-7-methyl-3-(trifluoromethyl)-2,4,6,8-nonatetraenoic acid, ethyl ester
• CAS No.: 63651-29-6
• Molecular Formula: C23H27F3O3
• Molecular Weight: 408.4539

Synonyms:CCRIS 5520;63651-29-6;9-(4-Methoxy-2,3,6-trimethylphenyl)-7-methyl-3-(trifluoromethyl)-2,4,6,8-nonatetraenoic acid, ethyl ester;SCHEMBL11161605

Chemical Property of 9-(4-Methoxy-2,3,6-trimethylphenyl)-7-methyl-3-(trifluoromethyl)-2,4,6,8-nonatetraenoic acid, ethyl ester

Chemical Property:

• Vapor Pressure: 6.45E-11mmHg at 25°C
• Boiling Point: 520.1°Cat760mmHg
• Flash Point: 258.5°C
• Density: 1.108g/cm³
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 408.19122921
• Heavy Atom Count: 29
• Complexity: 659

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C(C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C)C(F)(F)F
• Isomeric SMILES: CCOC(=O)/C=C(/C=C/C=C(\C)/C=C/C1=C(C(=C(C=C1C)OC)C)C)\C(F)(F)F

Technology Process of 9-(4-Methoxy-2,3,6-trimethylphenyl)-7-methyl-3-(trifluoromethyl)-2,4,6,8-nonatetraenoic acid, ethyl ester

There total 3 articles about 9-(4-Methoxy-2,3,6-trimethylphenyl)-7-methyl-3-(trifluoromethyl)-2,4,6,8-nonatetraenoic acid, ethyl ester 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:

1-(2,5,6-trimethyl-4-methoxyphenyl)-but-1-en-3-one (62924-31-6) → (2E,4E,6E,8E)-9-(4-Methoxy-2,3,6-trimethyl-phenyl)-7-methyl-3-trifluoromethyl-nona-2,4,6,8-tetraenoic acid ethyl ester (63651-29-6)

Guidance literature:

Multi-step reaction with 2 steps

2: (i) NaH, 1,2-dimethoxy-ethane, (ii) /BRN= 2333146/

DOI:10.1021/jm00195a010

Reference yield:

5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-2(E),4(E)-pentadien-1-al (69877-38-9,419534-29-5) + (E)-3-(Diethoxy-phosphorylmethyl)-4,4,4-trifluoro-but-2-enoic acid ethyl ester (63758-07-6,69877-43-6) → (2E,4E,6E,8E)-9-(4-Methoxy-2,3,6-trimethyl-phenyl)-7-methyl-3-trifluoromethyl-nona-2,4,6,8-tetraenoic acid ethyl ester (63651-29-6)

Guidance literature:

Multistep reaction; (i) NaH, 1,2-dimethoxy-ethane, (ii) /BRN= 2333146/;

DOI:10.1021/jm00195a010

Reference yield:

→ (2E,4E,6E,8E)-9-(4-Methoxy-2,3,6-trimethyl-phenyl)-7-methyl-3-trifluoromethyl-nona-2,4,6,8-tetraenoic acid ethyl ester (63651-29-6)

Guidance literature:

aus dem entspr. Aldehyd, entspr. Phosphonat;

upstream raw materials:

5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-2(E),4(E)-pentadien-1-al

(E)-3-(Diethoxy-phosphorylmethyl)-4,4,4-trifluoro-but-2-enoic acid ethyl ester

1-(2,5,6-trimethyl-4-methoxyphenyl)-but-1-en-3-one

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