AGN 193109 Ethyl Ester

Base Information

• Chemical Name: AGN 193109 Ethyl Ester
• CAS No.: 171568-43-7
• Molecular Formula: C30H28O2
• Molecular Weight: 420.551
• DSSTox Substance ID: DTXSID50472955
• Wikidata: Q82302145
• Mol file: 171568-43-7.mol

Synonyms:AGN 193109 Ethyl Ester;171568-43-7;Ethyl 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoate;SCHEMBL6235546;DTXSID50472955;YQBZMGXOWNSVJL-UHFFFAOYSA-N;AKOS030254732;4-[2-[5,6-Dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl]ethynyl]benzoic Acid Ethyl Ester;FT-0661442;ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(4- methylphenyl)-2-naphthalenyl)ethynyl]benzoate;Ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(4-methylphenvl)-2-naphthalenyl)ethynyl]benzoate;ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl]benzoate;ethyl 4-[(5,6-dihydro-5,5dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl]benzoate;ethyl 4-[(5,6-dihydro5,5-dimethyl-8-(4- methylphenyl)-2-naphthalenyl)ethynyl]benzoate;Ethyl 4-[(5.6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl]benzoate;Ethyl 4-[(7,8-dihydro-8,8-dimethyl-5-(4-methylphenyl)naphth-3-yl)ethynyl]benzoate

Chemical Property of AGN 193109 Ethyl Ester

Chemical Property:

• Melting Point: 160-162°C
• PSA: 26.30000
• LogP: 6.68450
• Storage Temp.: Refrigerator
• Solubility.: Acetone (Sparingly), Chloroform, Methanol (Sparingly, Heated)
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 420.208930132
• Heavy Atom Count: 32
• Complexity: 746

Purity/Quality:

98%min ^*data from raw suppliers

AGN193109EthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C4=CC=C(C=C4)C)(C)C
• Uses: Precursor to AGN 193109

Technology Process of AGN 193109 Ethyl Ester

There total 25 articles about AGN 193109 Ethyl Ester 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:

3-((2, 2-dimethylethyl)dinethylsiloxy)bromobenzene + ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl)oxy-2-naphthalenyl)ethynyl]benzoate (171568-44-8) → Ethyl 4-[(5,6-dihydro-5,5-dimethyi-8-(3-((2,2-dimethylethyl)dimethylsiloxy)phenyl)-2-naphthalenyl)ethynyl]benzoate + ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl]benzoate (171568-43-7)

Guidance literature:

With tert.-butyl lithium; Zinc chloride; tetrakis(triphenylphosphine)palladium ⁽⁰⁾; In tetrahydrofuran; pentane;

Reference yield:

5-methylthiazole (3581-89-3) + ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl)oxy-2-naphthalenyl)ethynyl]benzoate (171568-44-8) → Ethyl 4-?(5,6-dihydro-5,5-dimethyl-8-(5-methylthiazol-2-yl)-2-[naphthalenyl)ethynyl]benzoate + ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl]benzoate (171568-43-7)

Guidance literature:

With n-butyllithium; Zinc chloride; tetrakis(triphenylphosphine)palladium ⁽⁰⁾; In tetrahydrofuran;

Reference yield:

2-bromo-pyridine (109-04-6) + ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl)oxy-2-naphthalenyl)ethynyl]benzoate (171568-44-8) → ethyl 4-[(5,6-dihydro-5,5-dimethl-8-(2-pyridyl)-2-naphthalenyl)ethynyl]benzoate + ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl]benzoate (171568-43-7)

Guidance literature:

With tert.-butyl lithium; Zinc chloride; In tetrahydrofuran; pentane;

upstream raw materials:

para-bromotoluene

ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl)oxy-2-naphthalenyl)ethynyl]benzoate

3,4-dihydro-4,4-dimethyl-1(2H)-naphthalenone

7-ethynyl-3,4-dihydro-4,4-dimethylnaphthalen-1-(2H)-one

Downstream raw materials:

AGN 193109