3-(4-tert-butylphenyl)-N-(4-fluorophenyl)prop-2-enamide

Base Information

• Chemical Name: 3-(4-tert-butylphenyl)-N-(4-fluorophenyl)prop-2-enamide
• CAS No.: 5780-97-2
• Molecular Formula: C2Br D5 Mg
• Molecular Weight: 138.231
• DSSTox Substance ID: DTXSID30350469
• Mol file: 5780-97-2.mol

Synonyms:5780-97-2;3-(4-tert-butylphenyl)-N-(4-fluorophenyl)prop-2-enamide;DTXSID30350469

Chemical Property of 3-(4-tert-butylphenyl)-N-(4-fluorophenyl)prop-2-enamide

Chemical Property:

• Vapor Pressure: 2.28E-08mmHg at 25°C
• Boiling Point: 452.2°Cat760mmHg
• Flash Point: 227.3°C
• Density: 1.133g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 297.15289242
• Heavy Atom Count: 22
• Complexity: 383

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)F

Technology Process of 3-(4-tert-butylphenyl)-N-(4-fluorophenyl)prop-2-enamide

There total 1 articles about 3-(4-tert-butylphenyl)-N-(4-fluorophenyl)prop-2-enamide 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:

bromoethane-d5 (3675-63-6) → d5-ethylmagnesium bromide (5780-97-2)

Guidance literature:

With diisobutylaluminium hydride; magnesium; lithium chloride; In tetrahydrofuran; hexane; at 0 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.jorganchem.2013.01.014

Reference yield: 83.0%

d5-ethylmagnesium bromide (5780-97-2) + acetaldehyde (75-07-0,9002-91-9) → [3,3,4,4,4-2H]5-butan-2-ol (75749-92-7)

Guidance literature:

In diethyl ether; for 1h; Heating;

Reference yield: 76.0%

methyl 2-(4-tert-butylphenyl)acetate (3549-23-3) + d5-ethylmagnesium bromide (5780-97-2) → C14H16(2)H4O

Guidance literature:

With titanium(IV) isopropylate; In tetrahydrofuran; Inert atmosphere;

DOI:10.1055/s-0034-1378613

upstream raw materials:

bromoethane-d5

Downstream raw materials:

1-<4,5-(2)H5>pentanol

adamantane

C₁₂H₁₅⁽²⁾H₅

phenylpropane