Methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate

Base Information

• Chemical Name: Methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate
• CAS No.: 68634-02-6
• Molecular Formula: C11H10O3
• Molecular Weight: 190.19500
• Hs Code.: 2918300090
• European Community (EC) Number: 846-980-0
• DSSTox Substance ID: DTXSID70438876
• Wikidata: Q72494248
• Mol file: 68634-02-6.mol

Synonyms:Methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate;68634-02-6;Methyl 1-oxoindan-5-carboxylate;Methyl 1-oxo-2,3-dihydroindene-5-carboxylate;MFCD09263429;1-oxo-indan-5-carboxylic acid methyl ester;SCHEMBL883773;DTXSID70438876;methyl 1-oxoindane-5-carboxylate;YYKBHCRUMAMBPY-UHFFFAOYSA-N;AM9412;AKOS016009266;DS-3370;SY117319;CS-0150799;FT-0729325;EN300-266459;Methyl1-oxo-2,3-dihydro-1H-indene-5-carboxylate

Chemical Property of Methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate

Chemical Property:

• Melting Point: 111 °C
• Boiling Point: 346.1±31.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.243
• LogP: 1.60210
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

Methyl1-oxo-2,3-dihydro-1H-indene-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 1-oxo-2,3-dihydro-1H-indene-5-carboxylate

There total 10 articles about Methyl 1-oxo-2,3-dihydro-1H-indene-5-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: 92.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 5-Bromo-1-indanone (34598-49-7) → methyl 2,3-dihydro-1-oxo-1H-indene-5-carboxylate (68634-02-6)

Guidance literature:

With palladium bis[bis(diphenylphosphino)ferrocene] dichloride; triethylamine; In N,N-dimethyl-formamide; at 80 ℃; Sealed tube;

DOI:10.1021/acs.jmedchem.8b00794

Reference yield: 85.0%

→ methyl 2,3-dihydro-1-oxo-1H-indene-5-carboxylate (68634-02-6)

Guidance literature:

Reference yield: 25.0%

methyl 5-indanecarboxylate (86031-43-8) → methyl 2,3-dihydro-1-oxo-1H-indene-5-carboxylate (68634-02-6) + 3-oxo-indan-5-carboxylic acid methyl ester (68634-03-7)

Guidance literature:

With chromium(VI) oxide; In water; acetic acid; at 20 ℃; for 12h;

DOI:10.1023/A:1022515613414

upstream raw materials:

diazomethane

1,4,7,7aα-tetrahydro-1-oxo-4α,7α-methano-3aH-indene-(3aR)-3aα-carboxylic acid

methanol

1-oxo-2,3-dihydro-1H-indene-5-carboxylic acid

Downstream raw materials:

1-oxo-2,3-dihydro-1H-indene-5-carboxylic acid