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

Base Information

• Chemical Name: Methyl 3-oxo-2,3-dihydro-1H-indene-5-carboxylate
• CAS No.: 68634-03-7
• Molecular Formula: C11H10O3
• Molecular Weight: 190.19500
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID70435269
• Mol file: 68634-03-7.mol

Synonyms:68634-03-7;Methyl 3-oxo-2,3-dihydro-1H-indene-5-carboxylate;6-methoxycarbonyl-1-indanone;Methyl 1-oxoindan-6-carboxylate;Methyl 3-oxo-1,2-dihydroindene-5-carboxylate;MFCD12761546;SCHEMBL484748;DTXSID70435269;methyl 3-oxo-5-indanecarboxylate;YDOOCAKREHMAEB-UHFFFAOYSA-N;BCP15210;CS-D0130;AM9413;AKOS016011467;AC-31627;AS-42154;SY242992;FT-0742454;A867008;Methyl3-oxo-2,3-dihydro-1H-indene-5-carboxylate

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

Chemical Property:

• Melting Point: 110.7° - 112.0°C
• PSA: 43.37000
• LogP: 1.60210
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• 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-Oxoindan-6-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(CCC2=O)C=C1
• Uses: Methyl 1-Oxoindan-6-carboxylate is a useful reactant in organic synthesis. It can be used as a plant growth regulating compound.

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

There total 11 articles about Methyl 3-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: 96.0%

3-formyl-4-vinylbenzoic acid methyl ester (1313762-39-8) → 3-oxo-indan-5-carboxylic acid methyl ester (68634-03-7)

Guidance literature:

With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 6-diphenylphosphinomethyl-3-methyl-2-aminopyridine; In toluene; at 150 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c1cc10683j

Reference yield: 82.0%

methanol (67-56-1) + Indan-1-one-6-carboxylic acid (60031-08-5) → 3-oxo-indan-5-carboxylic acid methyl ester (68634-03-7)

Guidance literature:

With sulfuric acid; for 2h; Reflux;

DOI:10.1039/c9cc03232k

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:

methanol

Indan-1-one-6-carboxylic acid

methyl 5-indanecarboxylate

INDANE

Downstream raw materials:

Methyl 2-[2-(N-Benzyloxycarbonylpiperidin-4-yl)ethyl]indan-1-one-6-carboxylate