(2E,4E,6E)-3,7-Dimethyl-7-(tetrahydro-4,4-dimethylthiochroman-6-yl)-2,4,6-heptatrienoic acid

Base Information

Chemical Name:(2E,4E,6E)-3,7-Dimethyl-7-(tetrahydro-4,4-dimethylthiochroman-6-yl)-2,4,6-heptatrienoic acid
CAS No.:108695-20-1
Molecular Formula:C20H24 O2 S
Molecular Weight:328.475
Hs Code.:
Pharos Ligand ID:GN1U644AAVKR
ChEMBL ID:CHEMBL34292
Mol file:108695-20-1.mol

Synonyms:CHEMBL34292;(2E,4E,6E)-3,7-Dimethyl-7-(tetrahydro-4,4-dimethylthiochroman-6-yl)-2,4,6-heptatrienoic acid;2,4,6-Octatrienoic acid, 7-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)-3-methyl-, (E,E,E)-;108695-20-1;SCHEMBL10407402;C20H24O2S;BDBM50066900;C20-H24-O2-S;LS-98068;7-(4,4-Dimethyl-thiochroman-6-yl)-3-methyl-octa-2,4,6-trienoic acid;(2E,4E,6E)-7-(4,4-Dimethyl-thiochroman-6-yl)-3-methyl-octa-2,4,6-trienoic acid

Suppliers and Price of (2E,4E,6E)-3,7-Dimethyl-7-(tetrahydro-4,4-dimethylthiochroman-6-yl)-2,4,6-heptatrienoic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of (2E,4E,6E)-3,7-Dimethyl-7-(tetrahydro-4,4-dimethylthiochroman-6-yl)-2,4,6-heptatrienoic acid

Chemical Property:

Vapor Pressure:2.03E-11mmHg at 25°C
Boiling Point:514.7°Cat760mmHg
Flash Point:265.1°C
Density:1.097g/cm³
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:328.14970118
Heavy Atom Count:23
Complexity:528

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CC(=O)O)C=CC=C(C)C1=CC2=C(C=C1)SCCC2(C)C
Isomeric SMILES:C/C(=C\C(=O)O)/C=C/C=C(\C)/C1=CC2=C(C=C1)SCCC2(C)C

Technology Process of (2E,4E,6E)-3,7-Dimethyl-7-(tetrahydro-4,4-dimethylthiochroman-6-yl)-2,4,6-heptatrienoic acid

There total 6 articles about (2E,4E,6E)-3,7-Dimethyl-7-(tetrahydro-4,4-dimethylthiochroman-6-yl)-2,4,6-heptatrienoic 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:

: 88579-23-1
3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl methyl ketone

: 108695-20-1
7-[4.4-Dimethylthiochroman-6-yl]-3,7-dimethyl-2,4,6-heptatrienoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: tetrahydrofuran / 1.) reflux, 1 h, 2.) RT, 10 h

2: 98.8 percent / methanol / 3 h / Ambient temperature

3: n-butyllithium / diethyl ether / 24 h / Ambient temperature

4: KOH, water / ethanol / 1 h / Heating

With potassium hydroxide; n-butyllithium; water; In tetrahydrofuran; methanol; diethyl ether; ethanol;
DOI:10.1021/jm00391a033

Reference yield:

: 108695-19-8
ethyl (2E,4E,6E)-3,7-dimethyl-7-(1,2,3,4-tetrahydro-4,4-dimethyl-6-thiochromanyl)-2,4,6-heptatrienoate

: 108695-20-1
7-[4.4-Dimethylthiochroman-6-yl]-3,7-dimethyl-2,4,6-heptatrienoic acid

Guidance literature:: With potassium hydroxide; water; In ethanol; for 1h; Yield given; Heating;
DOI:10.1021/jm00391a033

Reference yield:

: 62054-49-3
ethyl (E)-3-formyl-2-butenoate

: 108695-20-1
7-[4.4-Dimethylthiochroman-6-yl]-3,7-dimethyl-2,4,6-heptatrienoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: n-butyllithium / diethyl ether / 24 h / Ambient temperature

2: KOH, water / ethanol / 1 h / Heating

With potassium hydroxide; n-butyllithium; water; In diethyl ether; ethanol;
DOI:10.1021/jm00391a033