all-trans-9-(2-Ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid

Base Information

Chemical Name:all-trans-9-(2-Ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid
CAS No.:74596-94-4
Molecular Formula:C₂₁H₃₀O₂
Molecular Weight:314.468
Hs Code.:
Nikkaji Number:J362.539G
ChEMBL ID:CHEMBL267041

Synonyms:SRI 2712-24;all-trans-9-(2-Ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid;2,4,6,8-Nonatetracenoic acid, 9-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-, (all-E)-;2,4,6,8-Nonatetraenoic acid, 9-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-, all-trans-;74596-94-4;CHEMBL267041;SCHEMBL9007219;SCHEMBL9007224;SRI-2712-24;LS-96923

Suppliers and Price of all-trans-9-(2-Ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid

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

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Chemical Property of all-trans-9-(2-Ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid

Chemical Property:

Vapor Pressure:2.47E-10mmHg at 25°C
Boiling Point:475°Cat760mmHg
Flash Point:360.8°C
Density:0.999g/cm³
XLogP3:6.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:314.224580195
Heavy Atom Count:23
Complexity:581

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of all-trans-9-(2-Ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid

There total 10 articles about all-trans-9-(2-Ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoic 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: 57.0%

: 74596-93-3
ethyl (E)-3,7-dimethyl-9-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)nona-2,4,6,8-tetraeneoate

: 74596-94-4
(E)-3,7-dimethyl-9-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

Guidance literature:: With potassium hydroxide; In ethanol; water; at 80 ℃; for 0.5h;
DOI:10.1021/jm00183a010

Reference yield:

: 762-47-0
7-methyl-6-octen-3-one

: 74596-94-4
(E)-3,7-dimethyl-9-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) LDA / 1.) THF, Et₂O, hexane, 2.) THF, Et₂O, hexane, -15 deg C, 3.5 h

2: oxalic acid / H₂O; tetrahydrofuran; diethyl ether; hexane / 15 h / Ambient temperature

4: PBr₃, pyridine / hexane; diethyl ether / 1.75 h / -5 - 0 °C

5: CH₂Cl₂ / 68 h / Ambient temperature

6: 48 percent / KO-t-BU / 2-methyl-propan-2-ol; tetrahydrofuran / 16 h / 55 °C

7: 57 percent / KOH / H₂O; ethanol / 0.5 h / 80 °C

With pyridine; potassium hydroxide; potassium tert-butylate; oxalic acid; phosphorus tribromide; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; ethanol; hexane; dichloromethane; water; tert-butyl alcohol;
DOI:10.1021/jm00183a010

Reference yield:

: 63826-41-5
2E,4E,6E-2,6-Dimethyl-7-ethoxycarbonyl-2,4,6-heptatrienal

: 74596-94-4
(E)-3,7-dimethyl-9-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 48 percent / KO-t-BU / 2-methyl-propan-2-ol; tetrahydrofuran / 16 h / 55 °C

2: 57 percent / KOH / H₂O; ethanol / 0.5 h / 80 °C

With potassium hydroxide; potassium tert-butylate; In tetrahydrofuran; ethanol; water; tert-butyl alcohol;
DOI:10.1021/jm00183a010