1-Methoxyindole-3-carboxylic acid

Base Information

• Chemical Name: 1-Methoxyindole-3-carboxylic acid
• CAS No.: 91913-76-7
• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.186
• DSSTox Substance ID: DTXSID00238760
• Nikkaji Number: J387.624A
• Wikidata: Q72490079
• Mol file: 91913-76-7.mol

Synonyms:1-methoxyindole-3-carboxylic acid

Chemical Property of 1-Methoxyindole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.62E-06mmHg at 25°C
• Boiling Point: 382°Cat760mmHg
• Flash Point: 184.8°C
• PSA: 51.46000
• Density: 1.29g/cm³
• LogP: 1.39790
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

98%Min ^*data from raw suppliers

1-Methoxyindole-3-CarboxylicAcid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CON1C=C(C2=CC=CC=C21)C(=O)O

Technology Process of 1-Methoxyindole-3-carboxylic acid

There total 9 articles about 1-Methoxyindole-3-carboxylic 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: 95.0%

1-methoxy-1H-indole-3-carbaldehyde (67282-55-7) → 1-methoxyindole-3-carboxylic acid (91913-76-7)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; In tert-butyl alcohol; at 20 ℃; for 39h;

DOI:10.3987/COM-00-S(I)12

Reference yield: 70.0%

methyl 1-methoxyindole-3-carboxylate (18377-50-9) + sodium thiomethoxide (5188-07-8) → 1-methoxyindole-3-carboxylic acid (91913-76-7) + methyl 2-methylthiolindole-3-carboxylate

Guidance literature:

With water; In N,N-dimethyl-formamide; at 60 ℃; for 6h;

DOI:10.3987/COM-00-S(I)12

Reference yield:

1-methoxyindole (54698-11-2) → 1-methoxyindole-3-carboxylic acid (91913-76-7)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

2: 95 percent / NaClO₂; aq. NaH₂PO₄*2H₂O / 2-methyl-propan-2-ol; various solvent(s) / 39 h / 20 °C

With sodium chlorite; sodium dihydrogenphosphate; trichlorophosphate; In tert-butyl alcohol;

DOI:10.3987/COM-00-S(I)12

upstream raw materials:

methyl 1-methoxyindole-3-carboxylate

1-methoxy-1H-3-indolecarbonitrile

1-methoxy-1H-indole-3-carbaldehyde

sodium thiomethoxide

Downstream raw materials:

1-methoxy-1H-3-indolecarbonyl chloride