1H-indole-2,4-dicarboxylic acid

Base Information

• Chemical Name: 1H-indole-2,4-dicarboxylic acid
• CAS No.: 103027-96-9
• Molecular Formula: C₁₀H₇NO₄
• Molecular Weight: 205.17
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL24438
• DSSTox Substance ID: DTXSID90564762
• Nikkaji Number: J377.420A
• Wikidata: Q72482998
• Mol file: 103027-96-9.mol

Synonyms:1H-indole-2,4-dicarboxylic acid;103027-96-9;Indole-2,4-dicarboxylic acid;4-Carboxyindole-2-carboxylic acid;1H-Indole-2,4-dicarboxylicacid;Indole-2,4-dicarboxylicacid;CHEMBL24438;SCHEMBL2806087;DTXSID90564762;1H-indole-2,4-dicarbonsäure;AKOS015898518;A800663

Chemical Property of 1H-indole-2,4-dicarboxylic acid

Chemical Property:

• Boiling Point: 578.51 °C at 760 mmHg
• Flash Point: 303.672 °C
• PSA: 90.39000
• Density: 1.616 g/cm³
• LogP: 1.56430
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 205.03750770
• Heavy Atom Count: 15
• Complexity: 291

Purity/Quality:

97% ^*data from raw suppliers

1H-Indole-2,4-dicarboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C=C(NC2=C1)C(=O)O)C(=O)O

Technology Process of 1H-indole-2,4-dicarboxylic acid

There total 7 articles about 1H-indole-2,4-dicarboxylic 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:

4-(trifluoromethyl)-1H-indole-2-carboxylic acid (317-59-9) → Indol-2,4-dicarbonsaeure (103027-96-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01564a058

Reference yield:

4-trifluoromethyl-indole-2-carboxylic acid ethyl ester (317-60-2) → Indol-2,4-dicarbonsaeure (103027-96-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous methanol. KOH

2: aqueous NaOH

With potassium hydroxide; sodium hydroxide;

DOI:10.1021/ja01564a058

Reference yield:

3-(1-ethoxycarbonyl-ethylidenehydrazino)-benzoic acid ethyl ester → Indol-2,4-dicarbonsaeure (103027-96-9)

Guidance literature:

With zinc(II) chloride; at 215 - 220 ℃; Behandeln mit Kalilauge;

upstream raw materials:

4-(trifluoromethyl)-1H-indole-2-carboxylic acid

meta-aminobenzoic acid

3-hydrazinobenzoic acid

4-trifluoromethyl-indole-2-carboxylic acid ethyl ester