N,N-Dihexyl-2-(4-fluorophenyl)indole-3-acetamide

Base Information

• Chemical Name: N,N-Dihexyl-2-(4-fluorophenyl)indole-3-acetamide
• CAS No.: 142720-24-9
• Molecular Formula: C28H37 F N2 O
• Molecular Weight: 436.613
• Hs Code.: 29339980
• DSSTox Substance ID: DTXSID90162141
• Nikkaji Number: J515.971G
• Wikipedia: FGIN-127
• Wikidata: Q3736821
• Pharos Ligand ID: NV8VRC8GFQMN
• ChEMBL ID: CHEMBL63154
• Mol file: 142720-24-9.mol

Synonyms:FGIN 1 27;FGIN 1-27;FGIN-1-27;N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide

Chemical Property of N,N-Dihexyl-2-(4-fluorophenyl)indole-3-acetamide

Chemical Property:

• Vapor Pressure: 9.6E-15mmHg at 25°C
• Melting Point: 96-97 °C
• Boiling Point: 608.3°Cat760mmHg
• PKA: 16.45±0.30(Predicted)
• Flash Point: 321.7°C
• PSA: 36.10000
• Density: 1.073g/cm³
• LogP: 7.50570
• Storage Temp.: 2-8°C
• Solubility.: methanol: 20 mg/mL
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 436.28899197
• Heavy Atom Count: 32
• Complexity: 522

Purity/Quality:

98% ^*data from raw suppliers

FGIN-1-27 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F
• Uses: FGIN-1-27 is a potent inositol monophosphatase inhibitor.

Technology Process of N,N-Dihexyl-2-(4-fluorophenyl)indole-3-acetamide

There total 10 articles about N,N-Dihexyl-2-(4-fluorophenyl)indole-3-acetamide 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:

3-{2-[(cyano-phenyl-methyl)-amino]-phenyl}-N,N-dihexyl-acrylamide → N,N-dihexyl-2-(4-fluorophenyl)indole-3-acetamide (142720-24-9)

Guidance literature:

With potassium tert-butylate; In ethanol; at 20 ℃;

DOI:10.1021/ol061617+

Reference yield:

4-(4-Fluoro-phenyl)-N,N-dihexyl-4-(phenyl-hydrazono)-butyramide → N,N-dihexyl-2-(4-fluorophenyl)indole-3-acetamide (142720-24-9)

Guidance literature:

With zinc(II) chloride; at 170 ℃; for 0.0833333h; Yield given;

DOI:10.1021/jm00072a010

Reference yield:

(E)-2-aminocinnamic acid dihexylamide (912820-99-6) → N,N-dihexyl-2-(4-fluorophenyl)indole-3-acetamide (142720-24-9)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / ethanol / 60 °C

2: 127 mg / KOtBu / ethanol / 20 °C

With potassium tert-butylate; acetic acid; In ethanol; 1: Strecker reaction / 2: Michael addition;

DOI:10.1021/ol061617+

upstream raw materials:

(E)-2-aminocinnamic acid dihexylamide

(E)-2-nitrocinnamic acid dihexylamide

dihexylamine

2-nitrocinnamic acid