2-Chloro-1-phenyl-1H-indole-3-carboxylic acid

Base Information

• Chemical Name: 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
• CAS No.: 54778-22-2
• Molecular Formula: C15H10ClNO2
• Molecular Weight: 271.6984
• NSC Number: 234528
• DSSTox Substance ID: DTXSID70203248
• Wikidata: Q83076602
• ChEMBL ID: CHEMBL3277792
• Mol file: 54778-22-2.mol

Synonyms:2-Chloro-1-phenyl-1H-indole-3-carboxylic acid;54778-22-2;1-Phenyl-2-chloroindole-3-carboxylic acid;1H-Indole-3-carboxylic acid, 2-chloro-1-phenyl-;BRN 0481979;NSC234528;SCHEMBL1144414;CHEMBL3277792;DTXSID70203248;AKOS004909168;NSC 234528;NSC-234528;LS-82564;FT-0702245

Chemical Property of 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.62E-06mmHg at 25°C
• Boiling Point: 371.2°Cat760mmHg
• Flash Point: 178.3°C
• Density: 1.33g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 271.0400063
• Heavy Atom Count: 19
• Complexity: 343

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)C(=O)O

Technology Process of 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid

There total 2 articles about 2-Chloro-1-phenyl-1H-indole-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: 77.5%

2-chloro-1-phenyl-1H-indole-3-carbaldehyde (38367-40-7) → 2-chloro-1-phenyl-indole-3-carboxylic acid (54778-22-2)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In 1,4-dioxane; water; at 25 ℃; for 6.5h;

Reference yield:

→ 2-chloro-1-phenyl-indole-3-carboxylic acid (54778-22-2)

Guidance literature:

entspr. 3-Carbaldehyd, KMnO4;

Reference yield:

2-chloro-1-phenyl-indole-3-carboxylic acid (54778-22-2) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(2-chloro-1-phenyl-1H-indole-3-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester (1174929-06-6)

Guidance literature:

With 4-methyl-morpholine; 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

2-chloro-1-phenyl-1H-indole-3-carbaldehyde

Downstream raw materials:

2-chloro-1-phenyl-1H-indole-3-carboxylic acid amide

1-(4-Chloro-phenyl)-3-(2-chloro-1-phenyl-1H-indole-3-carbonyl)-urea

2-chloro-1-phenyl-indole-3-carbonyl chloride

4-(2-chloro-1-phenyl-1H-indole-3-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester