6,7-Dimethoxyisoindolin-1-one

Base Information

• Chemical Name: 6,7-Dimethoxyisoindolin-1-one
• CAS No.: 59084-79-6
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.202
• Hs Code.: 2925199590
• DSSTox Substance ID: DTXSID70462257
• Nikkaji Number: J2.133.796J
• Wikidata: Q82286761
• Mol file: 59084-79-6.mol

Synonyms:6,7-dimethoxyisoindolin-1-one;59084-79-6;6,7-DIMETHOXY-2,3-DIHYDRO-ISOINDOL-1-ONE;6,7-dimethoxy-2,3-dihydroisoindol-1-one;6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-one;DTXSID70462257;MFCD09029854;AKOS006291076;SB37828;AC-17805;AS-39167;CS-0340354;FT-0728400;6,7-Dimethoxy-1,3-dihydro-2H-isoindole-1-one;J-518171

Chemical Property of 6,7-Dimethoxyisoindolin-1-one

Chemical Property:

• Vapor Pressure: 7.48E-09mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 465.8°C at 760 mmHg
• Flash Point: 235.5°C
• PSA: 51.05000
• Density: 1.214g/cm³
• LogP: 0.95760
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

6,7-Dimethoxyisoindolin-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(CNC2=O)C=C1)OC

Technology Process of 6,7-Dimethoxyisoindolin-1-one

There total 2 articles about 6,7-Dimethoxyisoindolin-1-one 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:

3,4-dimethoxybenzylamine (5763-61-1) + Diethyl carbonate (105-58-8,76619-83-5) → 2,3-dihydro-6,7-dimethoxyisoindol-1-one (59084-79-6) + ethyl N-3,4-dimethoxybenzylcarbamate (35572-57-7) + ethyl N-trimethylsilyl-N-3,4-dimethoxybenzylcarbamate

Guidance literature:

With n-butyllithium; chloro-trimethyl-silane; Yield given. Multistep reaction. Yields of byproduct given;

Reference yield:

chloro-trimethyl-silane (75-77-4) + 3,4-dimethoxybenzylamine (5763-61-1) + Diethyl carbonate (105-58-8,76619-83-5) → 2,3-dihydro-6,7-dimethoxyisoindol-1-one (59084-79-6) + ethyl N-3,4-dimethoxybenzylcarbamate (35572-57-7) + ethyl N-trimethylsilyl-N-3,4-dimethoxybenzylcarbamate

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction. Yields of byproduct given;

Reference yield:

2,3-dihydro-6,7-dimethoxyisoindol-1-one (59084-79-6) → (3S)-4,5-dimethoxy-1-[6-(2-methoxyethyl)benzo[1,3]dioxol-5-ylmethyl]-3-oxo-1,3-dihydroisoindole-2-carboxylic acid (1S,2R)-2-(1-methyl-1-phenylethyl)cyclohexyl ester (837361-52-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / n-butyllithium

2: 56 percent / sodium bis(trimethylsilyl)amide / tetrahydrofuran / -78 °C

With n-butyllithium; sodium hexamethyldisilazane; In tetrahydrofuran;

DOI:10.1021/ol047824w

upstream raw materials:

chloro-trimethyl-silane

3,4-dimethoxybenzylamine

Diethyl carbonate

Downstream raw materials:

(3S)-4,5-dimethoxy-1-[6-(2-methoxyethyl)benzo[1,3]dioxol-5-ylmethyl]-3-oxo-1,3-dihydroisoindole-2-carboxylic acid (1S,2R)-2-(1-methyl-1-phenylethyl)cyclohexyl ester

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