1-(1,3-Benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid

Base Information

• Chemical Name: 1-(1,3-Benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid
• CAS No.: 21722-66-7
• Molecular Formula: C₂₀H₁₇NO₆
• Molecular Weight: 367.358
• DSSTox Substance ID: DTXSID60176114
• Nikkaji Number: J41.023C
• Mol file: 21722-66-7.mol

Synonyms:1-(3',4'-methylenedioxybenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid;ID 955;ID-955

Chemical Property of 1-(1,3-Benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid

Chemical Property:

• Vapor Pressure: 3.98E-12mmHg at 25°C
• Melting Point: 160-162 °C
• Boiling Point: 531.5°Cat760mmHg
• PKA: 3.98±0.30(Predicted)
• Flash Point: 275.2°C
• PSA: 86.99000
• Density: 1.4g/cm³
• LogP: 3.00260
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 367.10558726
• Heavy Atom Count: 27
• Complexity: 583

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(N1C(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)OC)CC(=O)O

Technology Process of 1-(1,3-Benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid

There total 2 articles about 1-(1,3-Benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 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:

N1-(Piperonyl)-p-methoxyphenylhydrazin (21722-62-3) + levulinic acid (123-76-2) → 1-piperonyloyl-2-methyl-5-methoxyindole-3-acetic acid (21722-66-7)

Guidance literature:

Reference yield:

→ 1-piperonyloyl-2-methyl-5-methoxyindole-3-acetic acid (21722-66-7)

Guidance literature:

Aus N¹-(3',4'-Methylendioxybenzoyl)-p-methoxyphenylhydrazon*HCl u. Laevulinsaeure;

Reference yield:

1-piperonyloyl-2-methyl-5-methoxyindole-3-acetic acid (21722-66-7) + Benzyl bromoacetate (5437-45-6) → [1-(Benzo[1,3]dioxole-5-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-acetic acid benzyloxycarbonylmethyl ester

Guidance literature:

With potassium carbonate; Multistep reaction;

upstream raw materials:

N¹-(Piperonyl)-p-methoxyphenylhydrazin

levulinic acid

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