3-Thiophenecarboxylic acid, 5-(2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl)-, (E)-

Base Information

Chemical Name:3-Thiophenecarboxylic acid, 5-(2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl)-, (E)-
CAS No.:156691-84-8
Molecular Formula:C₂₃H₂₈O₂S
Molecular Weight:368.54
Hs Code.:
DSSTox Substance ID:DTXSID201318486
ChEMBL ID:CHEMBL93628
Mol file:156691-84-8.mol

Synonyms:2-(2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)propen-1-yl)-4-thiophenecarboxylic acid;5-(2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl)-3-thiophenecarboxylic acid;AGN 191701;AGN-191701

Suppliers and Price of 3-Thiophenecarboxylic acid, 5-(2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl)-, (E)-

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 3-Thiophenecarboxylic acid, 5-(2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl)-, (E)-

Chemical Property:

Vapor Pressure:8.15E-11mmHg at 25°C
Boiling Point:500°C at 760 mmHg
Flash Point:256.2°C
Density:1.101g/cm³
XLogP3:7.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:368.18100131
Heavy Atom Count:26
Complexity:577

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1C(=CC3=CC(=CS3)C(=O)O)C)C(CCC2(C)C)(C)C
Isomeric SMILES:CC1=CC2=C(C=C1/C(=C/C3=CC(=CS3)C(=O)O)/C)C(CCC2(C)C)(C)C

Technology Process of 3-Thiophenecarboxylic acid, 5-(2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl)-, (E)-

There total 5 articles about 3-Thiophenecarboxylic acid, 5-(2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl)-, (E)- 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:

: 156691-83-7
(E)-4-bromo-2-<2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)propen-1-yl>thiophene

: 156691-84-8
5-[(E)-2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-thiophene-3-carboxylic acid

Guidance literature:: With hydrogenchloride; n-butyllithium; In tetrahydrofuran; ethyl acetate;

Reference yield:

: 18791-75-8
4-Bromothiophen-2-aldehyde

: 156691-84-8
5-[(E)-2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-thiophene-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) n-BuLi / 1.) THF, hexane, from -78 deg C to RT, 2.) THF, hexane, RT, 20 h

2: 1.) n-BuLi / 1.) THF, hexane, -100 deg C, 2 min, 2.) THF, hexane, 20 min

With n-butyllithium;
DOI:10.1021/jm00015a004

Reference yield:

: 1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-ethan-1-yl-triphenylphosphonium bromide

: 156691-84-8
5-[(E)-2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-thiophene-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) n-BuLi / 1.) THF, hexane, from -78 deg C to RT, 2.) THF, hexane, RT, 20 h

2: 1.) n-BuLi / 1.) THF, hexane, -100 deg C, 2 min, 2.) THF, hexane, 20 min

With n-butyllithium;
DOI:10.1021/jm00015a004