ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate

Base Information

• Chemical Name: ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate
• CAS No.: 71042-72-3
• Molecular Formula: C13H16O2
• Molecular Weight: 204.269
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID5072228
• Nikkaji Number: J446.657H
• Wikidata: Q82000182
• Mol file: 71042-72-3.mol

Synonyms:71042-72-3;ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate;Ethyl 7-methyl-4-indancarboxylate;1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, ethyl ester;2,3-Dihydro-7-methyl-1H-indene-4-carboxylic acid ethyl ester;ethyl7-methyl-2,3-dihydro-1H-indene-4-carboxylate;DTXSID5072228;SCHEMBL19125537;WCA04272;MFCD29037420;AKOS025395558;DS-8234;CS-0043078;FT-0775264;N12382;A866500;7-methyl-2,3-dihydro-1H-indene-4-carboxylic acid ethyl ester

Chemical Property of ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.000161mmHg at 25°C
• Boiling Point: 330.9°Cat760mmHg
• Flash Point: 150°C
• PSA: 26.30000
• Density: 1.079g/cm³
• LogP: 2.66040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

Ethyl7-Methyl-2,3-dihydro-1H-indene-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C2CCCC2=C(C=C1)C

Technology Process of ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate

There total 2 articles about ethyl 7-methyl-2,3-dihydro-1H-indene-4-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: 58.0%

1-pyrrolidinocyclopent-1-ene (7148-07-4) + (2E,4E)-ethyl hexa-2,4-dienoate (2396-84-1) → ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate (71042-72-3)

Guidance literature:

1-pyrrolidinocyclopent-1-ene; (2E,4E)-ethyl hexa-2,4-dienoate; In 5,5-dimethyl-1,3-cyclohexadiene; Reflux;

With sulfur; at 250 ℃; for 2h;

Reference yield:

1-pyrrolidinocyclopent-1-ene (7148-07-4) + (2E,4E)-ethyl hexa-2,4-dienoate (2396-84-1) → ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate (71042-72-3) + 7-Methyl-2,3,7,7a-tetrahydro-1H-indene-4-carboxylic acid ethyl ester (71042-73-4)

Guidance literature:

In xylene; for 18h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1021/jo00330a008

Reference yield: 95.0%

ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate (71042-72-3) → 4-(7-Methylindan)carboxylic acid (71042-74-5)

Guidance literature:

With potassium hydroxide; In ethanol; Heating;

DOI:10.1021/jo00330a008

upstream raw materials:

1-pyrrolidinocyclopent-1-ene

(2E,4E)-ethyl hexa-2,4-dienoate

Downstream raw materials:

4-(7-Methylindan)carboxylic acid

4-(Chloromethanoyl)-7-methylindan

(7-methyl-indan-4-yl)-[1]naphthyl ketone