7-(2,3-Dihydro-1,1,3,3-tetramethyl-1h-inden-5-yl)-3-methyl-2,4,6-octatrienoic acid

Base Information

• Chemical Name: 7-(2,3-Dihydro-1,1,3,3-tetramethyl-1h-inden-5-yl)-3-methyl-2,4,6-octatrienoic acid
• CAS No.: 69251-08-7
• Molecular Formula: C22H28O2
• Molecular Weight: 324.4565
• Mol file: 69251-08-7.mol

Synonyms:BRN 5973906;Ro 13-4306;(E,E,E)-7-(2,3-Dihydro-1,1,3,3-tetramethyl-1H-inden-5-yl)-3-methyl-2,4,6-octatrienoic acid;7-(2,3-Dihydro-1,1,3,3-tetramethyl-1h-inden-5-yl)-3-methyl-2,4,6-octatrienoic acid;all-trans-3,7-Dimethyl-9-(1,1,3,3-tetramethylindanyl)-2,4,6,8-nonatetraenoic acid;(E,E,E)-7-(2,3-Dihydro-1,1,3,3-tetramethyl-1h-inden-5-yl)-3- methyl-2,4,6-octatrienoic acid;2,4,6-Octatrienoic acid, 7-(2,3-dihydro-1,1,3,3-tetramethyl-1H-inden-5-yl)-3-methyl-, (E,E,E)-;69251-08-7;SCHEMBL5286397;SCHEMBL5286402;LS-98069

Chemical Property of 7-(2,3-Dihydro-1,1,3,3-tetramethyl-1h-inden-5-yl)-3-methyl-2,4,6-octatrienoic acid

Chemical Property:

• Vapor Pressure: 5.31E-10mmHg at 25°C
• Boiling Point: 479.4°Cat760mmHg
• Flash Point: 364.5°C
• Density: 1.012g/cm³
• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 324.208930132
• Heavy Atom Count: 24
• Complexity: 575

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CC(=O)O)C=CC=C(C)C1=CC2=C(C=C1)C(CC2(C)C)(C)C
• Isomeric SMILES: C/C(=C\C(=O)O)/C=C/C=C(\C)/C1=CC2=C(C=C1)C(CC2(C)C)(C)C

Technology Process of 7-(2,3-Dihydro-1,1,3,3-tetramethyl-1h-inden-5-yl)-3-methyl-2,4,6-octatrienoic acid

There total 6 articles about 7-(2,3-Dihydro-1,1,3,3-tetramethyl-1h-inden-5-yl)-3-methyl-2,4,6-octatrienoic acid 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: 92.0%

2E-4E-7-(1,1,3,3-tetramethyl-5-indanyl)-3-methyl-octa-2,4,6-trienoic acid ethyl ester (69251-07-6) → 2E-4E-7-(1,1,3,3-tetramethyl-5-indanyl)-3-methyl-octa-2,4,6-trienoic acid (69251-08-7,120224-31-9)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 50 ℃; for 3h;

Reference yield:

1-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-one (17610-14-9) → 2E-4E-7-(1,1,3,3-tetramethyl-5-indanyl)-3-methyl-octa-2,4,6-trienoic acid (69251-08-7,120224-31-9)

Guidance literature:

Multi-step reaction with 5 steps

1: sodium borohydride / methanol / 1.5 h / 0 °C

2: phosphorus tribromide / pyridine / diethyl ether; hexane / 2.5 h / 0 - 5 °C

3: diethyl ether; xylene / 48 h / 100 °C

4: 32.3 percent / butylene oxide / 12 h / 65 °C

5: 92 percent / potassium hydroxide / H₂O; ethanol / 3 h / 50 °C

With tetrahydrofuran; potassium hydroxide; sodium tetrahydroborate; phosphorus tribromide; pyridine; In methanol; diethyl ether; ethanol; hexane; water; xylene;

Reference yield:

α-methyl-(1,1,3,3-tetramethyl-5-indane) methanol (69251-15-6) → 2E-4E-7-(1,1,3,3-tetramethyl-5-indanyl)-3-methyl-octa-2,4,6-trienoic acid (69251-08-7,120224-31-9)

Guidance literature:

Multi-step reaction with 4 steps

1: phosphorus tribromide / pyridine / diethyl ether; hexane / 2.5 h / 0 - 5 °C

2: diethyl ether; xylene / 48 h / 100 °C

3: 32.3 percent / butylene oxide / 12 h / 65 °C

4: 92 percent / potassium hydroxide / H₂O; ethanol / 3 h / 50 °C

With tetrahydrofuran; potassium hydroxide; phosphorus tribromide; pyridine; In diethyl ether; ethanol; hexane; water; xylene;

upstream raw materials:

2E-4E-7-(1,1,3,3-tetramethyl-5-indanyl)-3-methyl-octa-2,4,6-trienoic acid ethyl ester

ethyl (2E,4E)-3-methyl-6-oxo-2,4-hexadienoate

1-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-one

5-(1-Bromo-ethyl)-1,1,3,3-tetramethyl-indan

Refernces