3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-YL]-2-propenal

Base Information

• Chemical Name: 3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-YL]-2-propenal
• CAS No.: 129332-30-5
• Molecular Formula: C20H18 F N O
• Molecular Weight: 307.367
• DSSTox Substance ID: DTXSID501167684
• Mol file: 129332-30-5.mol

Synonyms:3-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-INDOL-2-YL]-2-PROPENAL;(E)-3-[3'-(4"-Fluorophenyl)-1'-(1"-methylethyl)-1H-indol-2"-yl]-2-propnal;DVWHSTKQJBIYCK-UHFFFAOYSA-N;DTXSID501167684;AKOS030228125;AB16753;FT-0643107;FT-0654233;3-[3-(4-fluoro-phenyl)-1-isopropyl-1H-indol-2-yl]-propenal

Chemical Property of 3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-YL]-2-propenal

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 122-124 °C
• Boiling Point: 497.643°C at 760 mmHg
• Flash Point: 254.766°C
• PSA: 22.00000
• Density: 1.105g/cm³
• LogP: 5.24040
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 307.137242360
• Heavy Atom Count: 23
• Complexity: 427

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C2=CC=CC=C2C(=C1C=CC=O)C3=CC=C(C=C3)F

Technology Process of 3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-YL]-2-propenal

There total 9 articles about 3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-YL]-2-propenal 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: 82.0%

3-(N-Methylanilino)-2-propenal (14189-82-3) + 3-(4'-fluorophenyl)-1-(1'-methylethyl)-1H-indole (93957-49-4) → 3-(3-(4-fluorophenyl)-1-iso propyl-1H-indol-2-yl)Acrolein (129332-30-5)

Guidance literature:

With trichlorophosphate; In acetonitrile; at 80 ℃; for 3h;

DOI:10.5012/bkcs.2011.32.10.3748

Reference yield: 55.0%

C28H32FNO3 + benzaldehyde (100-52-7) → 3-(3-(4-fluorophenyl)-1-iso propyl-1H-indol-2-yl)Acrolein (129332-30-5) + C35H38FNO4

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; diastereoselective reaction;

DOI:10.5012/bkcs.2011.32.10.3748

Reference yield: 38.0%

C27H30FNO3 + benzaldehyde (100-52-7) → 3-(3-(4-fluorophenyl)-1-iso propyl-1H-indol-2-yl)Acrolein (129332-30-5) + C34H36FNO4

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 ℃;

DOI:10.5012/bkcs.2011.32.10.3748

upstream raw materials:

3-(N-Methylanilino)-2-propenal

3-(4'-fluorophenyl)-1-(1'-methylethyl)-1H-indole

indole

(4-fluorophenyl)(2,4,6-triisopropylphenyl)iodonium triflate

Downstream raw materials:

C₂₂H₂₀FN₅S

C₂₃H₂₂FN₅S

Refernces