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

Base Information

• Chemical Name: Methyl 2,3-dihydro-1H-indene-1-carboxylate
• CAS No.: 26452-96-0
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• Hs Code.: 2916399090
• European Community (EC) Number: 837-253-9
• DSSTox Substance ID: DTXSID00397149
• Nikkaji Number: J784.533B
• Mol file: 26452-96-0.mol

Synonyms:Methyl 2,3-dihydro-1H-indene-1-carboxylate;26452-96-0;Indan-1-carboxylic acid methyl ester;1H-Indene-1-carboxylic acid, 2,3-dihydro-, methyl ester;Methyl 1-indancarboxylate;Methyl2,3-dihydro-1H-indene-1-carboxylate;SCHEMBL1153666;DTXSID00397149;JQCVEFYPCNDKFW-UHFFFAOYSA-N;METHYL INDANE-1-CARBOXYLATE;BBA45296;indane-1-carboxylic acid methyl ester;AKOS006237422;AB07839;CS-0217061;FT-0717734;EN300-67332;2,3-dihydro-1H-indene-1-carboxylic acid methyl ester;Z1079167842

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

Chemical Property:

• PSA: 26.30000
• LogP: 1.88940
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• 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:

98%min ^*data from raw suppliers

methyl2,3-dihydro-1H-indene-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCC2=CC=CC=C12

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

There total 26 articles about Methyl 2,3-dihydro-1H-indene-1-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: 100.0%

methanol (67-56-1) + Indan-1-carboxylic acid (14381-42-1) → methyl indane-1-carboxylate (26452-96-0)

Guidance literature:

Indan-1-carboxylic acid; With sulfuryl dichloride; In dichloromethane; at 20 ℃; for 0.583333h;

methanol; In dichloromethane; at 20 ℃; for 3h;

Reference yield: 97.0%

methyl 1H-indene-3-carboxylate (39891-79-7) → methyl indane-1-carboxylate (26452-96-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 16h;

DOI:10.1016/j.jfluchem.2006.02.008

Reference yield: 92.0%

Indan-1-carboxylic acid (14381-42-1) → methyl indane-1-carboxylate (26452-96-0)

Guidance literature:

With methanol; sulfuric acid; Reflux;

DOI:10.1002/ejoc.200901025

upstream raw materials:

methanol

Indan-1-carboxylic acid

methyl 1H-indene-3-carboxylate

1-(3,4-dihydro-1-naphthalenyl)pyrrolidine

Downstream raw materials:

methyl 6-benzoylindan-1-carboxylate

(R)-2,3-dihydro-1H-indene-1-carboxylic acid

(S)-2,3-dihydro-1H-indene-1-carboxylic acid

1-(1-benzyl-2,3-dihydro-1H-inden-1-yl)-2-bromoethanone

Refernces

• 1、 -. "CD73 INHIBITORS AND THERAPEUTIC USES THEREOF". Page/Page column 42. . Retrieved 2020/03/23.
• 2、 Beller, Matthias,Dühren, Ricarda,Franke, Robert,Ge, Yao,Huang, Weiheng,Jackstell, Ralf,Liu, Jiawang,Neumann, Helfried,Schneider, Carolin,Yang, Ji. "A general platinum-catalyzed alkoxycarbonylation of olefins". supporting information. p. 5235 - 5238. Retrieved 2020/07/30.