1H-Indole-3-acetic acid, 4-nitrophenyl ester

Base Information

• Chemical Name: 1H-Indole-3-acetic acid, 4-nitrophenyl ester
• CAS No.: 5157-45-9
• Molecular Formula: C₁₆H₁₂N₂O₄
• Molecular Weight: 296.282
• ChEMBL ID: CHEMBL3272676
• DSSTox Substance ID: DTXSID20472447
• Nikkaji Number: J518.977B
• Wikidata: Q82301396
• Mol file: 5157-45-9.mol

Synonyms:5157-45-9;1h-indole-3-acetic acid,4-nitrophenyl ester;1H-Indole-3-acetic acid, 4-nitrophenyl ester;4-Nitrophenyl 1H-Indole-3-acetic Acid Ester;CHEMBL3272676;DTXSID20472447;(1H-Indol-3-yl)-acetic acid 4-nitro-phenyl ester

Chemical Property of 1H-Indole-3-acetic acid, 4-nitrophenyl ester

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 296.07970687
• Heavy Atom Count: 22
• Complexity: 415

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 1H-Indole-3-acetic acid, 4-nitrophenyl ester

There total 1 articles about 1H-Indole-3-acetic acid, 4-nitrophenyl ester 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:

→ 2-(2-indolyl)acetic acid 4-nitrophenyl ester (5157-45-9)

Guidance literature:

Indole-3-acetic acid (IAA), p-Nitrophenol, Dicyclohexylcarbodiimide;

DOI:10.1016/S0031-9422(00)90107-9

Reference yield: 62.0%

2-(2-indolyl)acetic acid 4-nitrophenyl ester (5157-45-9) + (2S,3S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3-phenyl-propionylamino]-3-methyl-pentanoic acid {[(S)-1-((S)-1-carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-amide; hydrochloride (39570-39-3) → indol-3-ylacetyl-Ala-Phe-Ile-Gly-Leu-Met-NH2 (74104-90-8)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; Ambient temperature;

Reference yield: 49.4%

2-(2-indolyl)acetic acid 4-nitrophenyl ester (5157-45-9) + N-(L-Alanyl)-N'-2,N6-bis<(benzyloxy)carbonyl>-L-lysyl>hexane-1,6-diamine Hydrochloride (145118-31-6) → N-2,N6-Bis<(Benzyloxy)carbonyl>-L-lysyl>-N'--L-alanyl>hexane-1,6-diamine (145118-32-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; methanol; for 18h;

DOI:10.1002/hlca.19920750617

Downstream raw materials:

N-2,N⁶-Bis<(Benzyloxy)carbonyl>-L-lysyl>-N'--L-alanyl>hexane-1,6-diamine

indol-3-ylacetyl-Ala-Phe-Ile-Gly-Leu-Met-NH₂

NPTX-11

((S)-4-tert-Butoxycarbonylamino-4-{5-[(S)-3-carbamoyl-2-(2-1H-indol-3-yl-acetylamino)-propionylamino]-pentylcarbamoyl}-butyl)-carbamic acid benzyl ester

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