2,2-Dicarboethoxy-indane

Base Information

• Chemical Name: 2,2-Dicarboethoxy-indane
• CAS No.: 66014-45-7
• Molecular Formula: C15H18O4
• Molecular Weight: 262.306
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID90451825
• Nikkaji Number: J884.126H
• Wikidata: Q82272069
• Mol file: 66014-45-7.mol

Synonyms:2,2-dicarboethoxy-indane;66014-45-7;2,2-BISETHOXYCARBONYLINDANE;Diethyl 1,3-dihydroindene-2,2-dicarboxylate;diethyl indane-2,2-dicarboxylate;2,2-dicarboethoxyindan;2,2-dicarbethoxy-indane;2,2-dicarboethoxy-indan;SCHEMBL7301462;diethylindane-2,2-dicarboxylate;DTXSID90451825;AKJKTAHHXPLCDE-UHFFFAOYSA-N;MFCD09951908;AKOS017343320;2,2-Indandicarboxylic acid diethyl ester

Chemical Property of 2,2-Dicarboethoxy-indane

Chemical Property:

• Boiling Point: 327.5±37.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.164±0.06 g/cm3(Predicted)
• LogP: 1.89780
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 262.12050905
• Heavy Atom Count: 19
• Complexity: 316

Purity/Quality:

99% ^*data from raw suppliers

2,2-BISETHOXYCARBONYLINDANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CC2=CC=CC=C2C1)C(=O)OCC

Technology Process of 2,2-Dicarboethoxy-indane

There total 2 articles about 2,2-Dicarboethoxy-indane 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:

α,α'-dibromo-o-xylene (91-13-4) + diethyl malonate (105-53-3) → diethyl indan-2,2-dicarboxylate (66014-45-7) + 2-[2-(2,2-bis-ethoxycarbonyl-ethyl)-benzyl]malonic acid diethyl ester (69403-16-3)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 50 ℃; for 2h;

DOI:10.1016/S0040-4020(97)00989-7

Reference yield:

α,α'-dibromo-o-xylene (91-13-4) + diethyl malonate (105-53-3) → diethyl indan-2,2-dicarboxylate (66014-45-7) + 2-[2-(2,2-bis-ethoxycarbonyl-ethyl)-benzyl]malonic acid diethyl ester (69403-16-3) + 2-[2-(2,2-Bis-ethoxycarbonyl-ethyl)-benzyl]-3-[2-(2,2-bis-ethoxycarbonyl-ethyl)-phenyl]-2-ethoxycarbonyl-propionic acid ethyl ester + 2-[2-(2,2-Bis-ethoxycarbonyl-ethyl)-benzyl]-3-(2-{3-[2-(2,2-bis-ethoxycarbonyl-ethyl)-phenyl]-2,2-bis-ethoxycarbonyl-propyl}-phenyl)-2-ethoxycarbonyl-propionic acid ethyl ester

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 50 ℃; for 2h;

DOI:10.1016/S0040-4020(97)00989-7

Reference yield: 92.0%

diethyl indan-2,2-dicarboxylate (66014-45-7) → indane-2,2-dicarboxylic acid (2437-08-3)

Guidance literature:

With potassium hydroxide; In ethanol; for 12h; Heating;

DOI:10.1002/hlca.19940770729

upstream raw materials:

α,α'-dibromo-o-xylene

diethyl malonate

Downstream raw materials:

indane-2,2-dicarboxylic acid

2-(hydroxymethyl)indan

(2,3-dihydro-1H-indene-2,2-diyl)dimethanol

2-Benzyloxycarbamoyl-indan-2-carboxylic acid