(2E,4E)-3-methyl-5-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)phenyl]penta-2,4-dienoic acid

Base Information

Chemical Name:(2E,4E)-3-methyl-5-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)phenyl]penta-2,4-dienoic acid
CAS No.:91587-08-5
Molecular Formula:C22H28O2
Molecular Weight:324.4565
Hs Code.:
ChEMBL ID:CHEMBL37406

Synonyms:SRI 4657-47;91587-08-5;CHEMBL37406

Suppliers and Price of (2E,4E)-3-methyl-5-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)phenyl]penta-2,4-dienoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (2E,4E)-3-methyl-5-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)phenyl]penta-2,4-dienoic acid

Chemical Property:

Vapor Pressure:4.56E-10mmHg at 25°C
Boiling Point:481.1°Cat760mmHg
Flash Point:365.9°C
Density:1.036g/cm³
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:324.208930132
Heavy Atom Count:24
Complexity:563

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(CCC1)(C)C)C2=CC(=C(C=C2)C=CC(=CC(=O)O)C)C
Isomeric SMILES:CC1=C(C(CCC1)(C)C)C2=CC(=C(C=C2)/C=C/C(=C/C(=O)O)/C)C

Technology Process of (2E,4E)-3-methyl-5-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)phenyl]penta-2,4-dienoic acid

There total 6 articles about (2E,4E)-3-methyl-5-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)phenyl]penta-2,4-dienoic 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: 87.0%

: 91587-30-3
ethyl (E)-3-methyl-5-<2-methyl-4-(2,6,6-trimethylcyclohexenyl)phenyl>-2,4-pentadienoate

: 91587-08-5
(E)-3-methyl-5-<2-methyl-4-(2,6,6-trimethylcyclohexenyl)phenyl>-2,4-pentadienoic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 0.583333h; Heating;
DOI:10.1021/jm00377a022

Reference yield:

: 68837-59-2
4-bromo-2-methylbenzoic acid

: 91587-08-5
(E)-3-methyl-5-<2-methyl-4-(2,6,6-trimethylcyclohexenyl)phenyl>-2,4-pentadienoic acid

Guidance literature:: Multi-step reaction with 8 steps

1: 100 percent / BH₃*THF / tetrahydrofuran / 1 h / 0 - 20 °C

2: PCC / CH₂Cl₂ / 2.5 h

3: p-TsOH*H₂O / benzene / 17 h / Heating

4: 1.) n-BuLi / 1.) THF, hexane, -78 deg C, 10 min, 2.) THF, hexane, a) -78 deg C, 15 min, b) from -78 deg C to RT, 1.5 h

5: 1.39 g / p-TsOH*H₂O / benzene / 17.5 h / Heating

6: 56 percent / POCl₃, pyridine / 17.5 h / Heating

7: 1.) n-BuLi / 1.) THF, hexane, -78 deg C, 10 min, 2.) THF, hexane, a) -78 deg C, 20 min, b) RT, 4 h

8: 87 percent / aq. KOH / ethanol / 0.58 h / Heating

With pyridine; potassium hydroxide; n-butyllithium; borane-THF; toluene-4-sulfonic acid; pyridinium chlorochromate; trichlorophosphate; In tetrahydrofuran; ethanol; dichloromethane; benzene;
DOI:10.1021/jm00377a022

Reference yield:

: 41891-54-7
diethyl 3-(ethoxycarbonyl)-3-methylprop-2-en-yl phosphate

: 91587-08-5
(E)-3-methyl-5-<2-methyl-4-(2,6,6-trimethylcyclohexenyl)phenyl>-2,4-pentadienoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) n-BuLi / 1.) THF, hexane, -78 deg C, 10 min, 2.) THF, hexane, a) -78 deg C, 20 min, b) RT, 4 h

2: 87 percent / aq. KOH / ethanol / 0.58 h / Heating

With potassium hydroxide; n-butyllithium; In ethanol;
DOI:10.1021/jm00377a022