4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl)benzoic acid

Base Information

Chemical Name:4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl)benzoic acid
CAS No.:104561-41-3
Molecular Formula:C₂₃H₂₄O₂
Molecular Weight:332.442
Hs Code.:
UNII:VSDTYDJDJJ
DSSTox Substance ID:DTXSID40438025
Nikkaji Number:J390.100I
Pharos Ligand ID:8W7M81MJCU19
ChEMBL ID:CHEMBL451835
Mol file:104561-41-3.mol

Synonyms:AGN 190205;AGN-190205

Suppliers and Price of 4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl)benzoic 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

TRC
EC23
10mg
$ 115.00

Tocris
EC23 ≥99%(HPLC)
10
$ 184.00

Tocris
EC23 ≥99%(HPLC)
50
$ 752.00

DC Chemicals
EC23
1g
$ 1600.00

DC Chemicals
EC23
100 mg
$ 450.00

Cayman Chemical
EC 23 ≥98%
10mg
$ 95.00

Cayman Chemical
EC 23 ≥98%
5mg
$ 63.00

Cayman Chemical
EC 23 ≥98%
1mg
$ 25.00

Cayman Chemical
EC 23 ≥98%
25mg
$ 219.00

American Custom Chemicals Corporation
EC 23 95.00%
5MG
$ 502.72

Total 10 raw suppliers

Chemical Property of 4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl)benzoic acid

Chemical Property:

Melting Point:254-256 °C(Solv: acetonitrile (75-05-8))
Boiling Point:484.7±45.0 °C(Predicted)
PKA:4.10±0.10(Predicted)
PSA：37.30000
Density:1.15±0.1 g/cm3(Predicted)
LogP:5.13360
Storage Temp.:Store at +4°C
XLogP3:6.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:332.177630004
Heavy Atom Count:25
Complexity:565

Purity/Quality:

99%, ^*data from raw suppliers

EC23 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C)C
Uses EC 23 is an ATRA analog with similar activity. EC 23 potently induces neural differentiation in human pluripotent embryonic stem cells.

Technology Process of 4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl)benzoic acid

There total 4 articles about 4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl)benzoic 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: 72.0%

: 1010385-77-9
4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylethynyl)benzoic acid methyl ester

: 104561-41-3
4-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl]benzoic acid

Guidance literature:: With water; sodium hydroxide; In tetrahydrofuran; at 70 ℃; for 20h;
DOI:10.1039/b808574a

Reference yield: 28.0%

: 619-58-9
4-iodobenzoic acid

: 104561-41-3
4-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl]benzoic acid

Guidance literature:: With CuI; triethylamine; Pd(PPh₃)2Cl₂;

Reference yield: 20.0%

: 619-58-9
4-iodobenzoic acid

: 119362-54-8
6-ethynyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene

: 104561-41-3
4-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl]benzoic acid

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 80 ℃; for 7h;
DOI:10.1016/j.bmcl.2008.11.040