Methyl 2,3-dihydro-1H-indene-4-carboxylate

Base Information

• Chemical Name: Methyl 2,3-dihydro-1H-indene-4-carboxylate
• CAS No.: 86031-42-7
• Molecular Formula: C11H12O2
• Molecular Weight: 176.21200
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20433715
• Wikidata: Q82247925
• Mol file: 86031-42-7.mol

Synonyms:Methyl 2,3-dihydro-1H-indene-4-carboxylate;86031-42-7;SCHEMBL7408640;DTXSID20433715;indan-4-carboxylic acid methyl ester;BS-50136;Methyl2,3-dihydro-1H-indene-4-carboxylate;CS-0131571;E76241

Chemical Property of Methyl 2,3-dihydro-1H-indene-4-carboxylate

Chemical Property:

• Boiling Point: 130-131 °C(Press: 7 Torr)
• PSA: 26.30000
• Density: 1.126±0.06 g/cm3(Predicted)
• LogP: 1.96190
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Methyl2,3-dihydro-1H-indene-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC2=C1CCC2

Technology Process of Methyl 2,3-dihydro-1H-indene-4-carboxylate

There total 9 articles about 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: 90.3%

methanol (67-56-1) + 2,3-dihydro-1H-indene-4-carboxylic acid (4044-54-6) → 4-Indancarbonsaeuremethylester (86031-42-7)

Guidance literature:

With sulfuric acid; for 48h; Heating;

DOI:10.1007/BF00813793

Reference yield: 74.8%

6-tert-Butyl-indan-4-carboxylic acid methyl ester (183721-70-2) → 4-Indancarbonsaeuremethylester (86031-42-7)

Guidance literature:

With aluminium trichloride; In toluene; for 72h; Ambient temperature;

DOI:10.1007/BF00813793

Reference yield:

INDANE (496-11-7) → 4-Indancarbonsaeuremethylester (86031-42-7)

Guidance literature:

Multi-step reaction with 5 steps

1: 57.3 percent / CH₂Cl₂ / 2 h

2: 63.8 percent / AlCl₃ / CCl₄ / 2 h / Ambient temperature

3: 70.2 percent / AlCl₃ / toluene / 120 h / Ambient temperature

4: 84 percent / aq. NaOBr / dioxane / 1.) ice-cooling, 10 h, 2.) r.t., 5 h

5: 90.3 percent / H₂SO₄ / 48 h / Heating

With aluminium trichloride; sodium hypobromide; sulfuric acid; In 1,4-dioxane; tetrachloromethane; dichloromethane; toluene;

DOI:10.1007/BF00813793

upstream raw materials:

diazomethane

2,3-dihydro-1H-indene-4-carboxylic acid

methanol

6-tert-Butyl-indan-4-carboxylic acid methyl ester

Downstream raw materials:

methyl 1-oxo-2,3-dihydro-1H-indene-4-carboxylate