Welcome to LookChem.com Sign In|Join Free
  • or

Encyclopedia

4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid

Base Information Edit
  • Chemical Name:4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid
  • CAS No.:171746-21-7
  • Molecular Formula:C28H24O2
  • Molecular Weight:392.497
  • Hs Code.:
  • UNII:ZC6062V1O9
  • DSSTox Substance ID:DTXSID5040962
  • Nikkaji Number:J710.519C
  • Wikidata:Q27074350
  • Pharos Ligand ID:W341QGVWUY47
  • ChEMBL ID:CHEMBL358145
  • Mol file:171746-21-7.mol
4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid

Synonyms:4-((5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl)benzoic acid;AGN 193109;AGN-193109;AGN193109

Suppliers and Price of 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid
Supply Marketing:Edit
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
  • AGN193109SodiumSalt
  • 10mg
  • $ 1455.00
  • TRC
  • AGN193109SodiumSalt
  • 1mg
  • $ 185.00
  • Tocris
  • AGN193109 ≥98%(HPLC)
  • 10
  • $ 303.00
  • Medical Isotopes, Inc.
  • AGN193109
  • 5 mg
  • $ 290.00
  • CSNpharm
  • AGN193109
  • 25mg
  • $ 360.00
  • ChemScene
  • AGN193109 99.43%
  • 25mg
  • $ 630.00
  • ChemScene
  • AGN193109 99.43%
  • 5mg
  • $ 180.00
  • ChemScene
  • AGN193109 99.43%
  • 10mg
  • $ 280.00
  • Cayman Chemical
  • AGN 193109 (sodium salt)
  • 1mg
  • $ 188.00
  • Cayman Chemical
  • AGN 193109 (sodium salt)
  • 500μg
  • $ 99.00
Total 12 raw suppliers
Chemical Property of 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Edit
Chemical Property:
  • Vapor Pressure:1.41E-13mmHg at 25°C 
  • Melting Point:246-255 C 
  • Refractive Index:1.663 
  • Boiling Point:564.5 °C at 760 mmHg 
  • PKA:4.08±0.10(Predicted) 
  • Flash Point:257.1 °C 
  • PSA:37.30000 
  • Density:1.21 g/cm3 
  • LogP:6.20600 
  • Storage Temp.:-20°C Freezer 
  • Solubility.:Chloroform (Slightly, Heated), DMSO (Slightly, Sonicated) 
  • XLogP3:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:4
  • Exact Mass:392.177630004
  • Heavy Atom Count:30
  • Complexity:716
Purity/Quality:

95-99% *data from raw suppliers

AGN193109SodiumSalt *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C
  • Uses As a retinoic acid receptor (RAR) antagonist, 4-{[5,5-dimethyl-8-(4-methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid can be used for treating chemotherapy and radiation therapy side effects.
Technology Process of 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid

There total 9 articles about 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]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:
Guidance literature:
With lithium hydroxide; In tetrahydrofuran; Ambient temperature;
DOI:10.1021/jm00024a003
Guidance literature:
Multi-step reaction with 7 steps
1: 80 percent / AlCl3, Br2 / CH2Cl2 / 70 °C
2: (PPh3)2PdCl2, CuI, Et2NH / 60 °C
3: K2CO3 / methanol / Ambient temperature
4: 64 percent / (PPh3)2PdCl2, CuI, Et2NH / Ambient temperature
5: 1.) NaN(SiMe3)2 / 1.) THF, -78 deg C, 2.) THF, from 0 deg C to RT
6: 1.) t-BuLi, 2.) ZnCl2, 3.) Pd(PPh3)4
7: 97 percent / aq.LiOH / tetrahydrofuran / Ambient temperature
With bis-triphenylphosphine-palladium(II) chloride; lithium hydroxide; copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); aluminium trichloride; bromine; tert.-butyl lithium; sodium hexamethyldisilazane; potassium carbonate; diethylamine; zinc(II) chloride; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1021/jm00024a003
Post RFQ for Price