Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Base Information

• Chemical Name: Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate
• CAS No.: 116047-26-8
• Molecular Formula: C12H12O3
• Molecular Weight: 204.225
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID10450875
• Wikidata: Q82270707
• Mol file: 116047-26-8.mol

Synonyms:Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate;116047-26-8;Methyl 8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate;2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-8-oxo-, methyl ester;SCHEMBL354166;DTXSID10450875;Methyl8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate;CIZUNRVGSYFMQM-UHFFFAOYSA-N;AM8897;MFCD16037868;AKOS016011020;DS-6132;1-tetralon-7-carboxylic acid methyl ester;CS-0101692;FT-0706760;EN300-250828;I10516;7-methoxycarbonyl-3,4-dihydro-(2H)-1-naphthalenone;Z1509530900

Chemical Property of Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Chemical Property:

• PSA: 43.37000
• LogP: 1.99220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.078644241
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

97% ^*data from raw suppliers

Methyl8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(CCCC2=O)C=C1

Technology Process of Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate

There total 8 articles about Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate 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: 95.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 7-Trifluoromethanesulphonyloxy-1,2,3,4-tetrahydronaphthalen-1-one (144464-65-3) → methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate (116047-26-8)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; triethylamine; palladium diacetate; In N,N-dimethyl-formamide;

DOI:10.1016/S0968-0896(98)80017-5

Reference yield: 95.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 7-Trifluoromethanesulfonyl-3,4-dihydro-2H-naphthalen-1-one → methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate (116047-26-8)

Guidance literature:

With palladium diacetate; 1,3-bis-(diphenylphosphino)propane; triethylamine; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(98)00468-7

Reference yield: 94.0%

methanol (67-56-1) + 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (89781-52-2) → methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate (116047-26-8)

Guidance literature:

With thionyl chloride; at 20 ℃; for 12h;

upstream raw materials:

diazomethane

8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

methanol

carbon monoxide