3-(2-phenyl-1H-indol-3-yl)propanoic acid

Base Information

• Chemical Name: 3-(2-phenyl-1H-indol-3-yl)propanoic acid
• CAS No.: 62663-27-8
• Molecular Formula: C17H15NO2
• Molecular Weight: 265.31
• European Community (EC) Number: 864-140-1
• NSC Number: 364001
• DSSTox Substance ID: DTXSID20320757
• Wikidata: Q82078211

Synonyms:3-(2-phenyl-1H-indol-3-yl)propanoic acid;62663-27-8;NSC364001;SCHEMBL6624875;DTXSID20320757;1H-Indole-3-propanoicacid,2-phenyl-;AKOS000123253;AT23604;NSC 364001;NSC-364001;3-(2-phenyl-1H-indol-3-yl)propanoicacid;EN300-376093;Z363989852

Chemical Property of 3-(2-phenyl-1H-indol-3-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 4.34E-12mmHg at 25°C
• Refractive Index: 1.67
• Boiling Point: 530.6 °C at 760 mmHg
• Flash Point: 274.7 °C
• PSA: 53.09000
• Density: 1.256 g/cm³
• LogP: 3.85210
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 265.110278721
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

3-(2-PHENYL-1H-INDOL-3-YL)PROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)O

Technology Process of 3-(2-phenyl-1H-indol-3-yl)propanoic acid

There total 6 articles about 3-(2-phenyl-1H-indol-3-yl)propanoic 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: 75.0%

iodobenzene (591-50-4) + Indole-3-propionic acid (830-96-6) → 3-(2-phenyl-1H-indol-3-yl)-propionic acid (62663-27-8)

Guidance literature:

With silver tetrafluoroborate; palladium diacetate; trifluoroacetic acid; In N,N-dimethyl-formamide; at 90 ℃; for 0.333333h; Inert atmosphere; Microwave irradiation; Sealed tube;

DOI:10.1021/jo400961x

Reference yield:

2-phenyl-indole (948-65-2) + acrylic acid (79-10-7) → 3-(2-phenyl-1H-indol-3-yl)-propionic acid (62663-27-8)

Guidance literature:

With acetic anhydride; acetic acid; at 90 ℃; for 24h;

Reference yield:

phenylhydrazine (100-63-0) + 5-oxo-5-phenylvaleric acid (1501-05-9) → 3-(2-phenyl-1H-indol-3-yl)-propionic acid (62663-27-8)

Guidance literature:

With zinc(II) chloride; In acetic acid; at 70 ℃; for 4h;

DOI:10.1016/j.bmc.2004.07.031

upstream raw materials:

phenylhydrazine

5-oxo-5-phenylvaleric acid

iodobenzene

Indole-3-propionic acid

Downstream raw materials:

3-(2-phenyl-1H-indol-3-yl)-propionamide

[3-(2-phenyl-1H-indol-3-yl)-propyl]-carbamic acid tert-butyl ester

3-[3-(3-amino-propyl)-2-phenyl-indol-1-yl]-propionic acid methyl ester

3-[3-(3-methanesulfonylamino-propyl)-2-phenyl-indol-1-yl]-propionic acid methyl ester

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