Methyl 1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole-5-carboxylate

Base Information

• Chemical Name: Methyl 1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole-5-carboxylate
• CAS No.: 6872-10-2
• Molecular Formula: C14H17NO2
• Molecular Weight: 231.294
• Hs Code.: 2933990090
• European Community (EC) Number: 700-424-2,614-719-8
• DSSTox Substance ID: DTXSID70569033
• Nikkaji Number: J26.046K
• Mol file: 6872-10-2.mol

Synonyms:6872-10-2;Methyl 1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole-5-carboxylate;methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate;EC 700-424-2;1,3,3-TRIMETHYL-2-METHYLENE-5-INDOLINECARBOXYLIC ACID METHYL ESTER;SCHEMBL7712511;DTXSID70569033;CVHDZBBLDJRKOS-UHFFFAOYSA-N;NS00005346

Chemical Property of Methyl 1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole-5-carboxylate

Chemical Property:

• PSA: 29.54000
• LogP: 2.77930
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.125928785
• Heavy Atom Count: 17
• Complexity: 348

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=C)N(C2=C1C=C(C=C2)C(=O)OC)C)C
• Use Description: 1,3,3-trimethyl-2-methylene-5-indolinecarboxylic acid methyl ester, a specific chemical compound, serves distinct purposes across various fields. In the pharmaceutical sector, it can act as a potential intermediate in the synthesis of biologically active compounds, contributing to drug discovery and development. In organic chemistry, this compound can serve as a building block for the creation of complex molecular structures, supporting advancements in chemical research and the development of new materials. Furthermore, in the field of materials science, it may find utility in creating specialized materials with specific properties. The compound's versatile applications in pharmaceuticals, chemistry, and materials science underscore its importance in driving innovation, scientific exploration, and practical solutions in these diverse fields.

Technology Process of Methyl 1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole-5-carboxylate

There total 2 articles about Methyl 1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole-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:

methyl 2,3,3-trimethyl-3H-indole-5-carboxylate + dimethyl sulfate (77-78-1) → 1,3,3-trimethyl-2-methylene-2,3-dihydro-indole-5-carboxylic acid methyl ester (6872-10-2)

Guidance literature:

With magnesium oxide; Reagent/catalyst; Reflux;

Reference yield:

3-methyl-butan-2-one (563-80-4) → 1,3,3-trimethyl-2-methylene-2,3-dihydro-indole-5-carboxylic acid methyl ester (6872-10-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / Reflux

2: magnesium oxide / Reflux

With sulfuric acid; magnesium oxide;

Reference yield: 87.4%

4-formyl-3-methyl-1-phenylpyrazol-5-one (17364-41-9) + 1,3,3-trimethyl-2-methylene-2,3-dihydro-indole-5-carboxylic acid methyl ester (6872-10-2) → 1,3,3-trimethyl-2-[2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-ylidene)-ethylidene]-2,3-dihydro-indole-5-carboxylic acid methyl ester (5718-26-3)

Guidance literature:

With toluene-4-sulfonic acid; Reagent/catalyst; Reflux;

upstream raw materials:

dimethyl sulfate

3-methyl-butan-2-one

Downstream raw materials:

1,3,3-trimethyl-2-[2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-ylidene)-ethylidene]-2,3-dihydro-indole-5-carboxylic acid methyl ester

Refernces