3-(4-(Trifluoromethoxy)phenyl)acrylaldehyde

Base Information

• Chemical Name: 3-(4-(Trifluoromethoxy)phenyl)acrylaldehyde
• CAS No.: 183800-94-4
• Molecular Formula: C10H7F3O2
• Molecular Weight: 216.16
• European Community (EC) Number: 838-908-1
• Mol file: 183800-94-4.mol

Synonyms:183800-94-4;4-(Trifluoromethoxy)cinnamic aldehyde;3-(4-(Trifluoromethoxy)phenyl)acrylaldehyde;681484-59-3;(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal;(E)-3-(4-(Trifluoromethoxy)phenyl)acrylaldehyde;Trans-4-(trifluoromethoxy)cinnamaldehyde;MFCD07782065;4-Methylphenylsulfonylaminohexanoicacid;AKOS015890096;AC-9776;EN300-637373;(2E)-3-[4-(TRIFLUOROMETHOXY)PHENYL]PROP-2-ENAL;Z2312385391

Chemical Property of 3-(4-(Trifluoromethoxy)phenyl)acrylaldehyde

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• Refractive Index: 1.5
• Boiling Point: 264.635 °C at 760 mmHg
• Flash Point: 110.455 °C
• PSA: 26.30000
• Density: 1.286 g/cm³
• LogP: 2.79730
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 216.03981395
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-(Trifluoromethoxy)phenyl)acrylaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC=O)OC(F)(F)F
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C=O)OC(F)(F)F

Technology Process of 3-(4-(Trifluoromethoxy)phenyl)acrylaldehyde

There total 4 articles about 3-(4-(Trifluoromethoxy)phenyl)acrylaldehyde 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: 60.0%

→ trans-4-(trifluoromethoxy)cinnamaldehyde (183800-94-4)

Guidance literature:

Reference yield:

(E)-3-(4-(trifluoromethoxy)phenyl)prop-2-en-1-ol (866207-70-7) → trans-4-(trifluoromethoxy)cinnamaldehyde (183800-94-4)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1248/cpb.48.694

Reference yield:

p-trifluoromethoxybenzaldehyde (659-28-9) → trans-4-(trifluoromethoxy)cinnamaldehyde (183800-94-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: NaH / 1,2-dimethoxy-ethane / 0.25 h / 0 °C

1.2: 1,2-dimethoxy-ethane / 0.25 h / 0 °C

2.1: DIBAL / toluene / 0.33 h / 0 °C

3.1: MnO₂ / CH₂Cl₂ / 2 h / 20 °C

With manganese(IV) oxide; sodium hydride; diisobutylaluminium hydride; In 1,2-dimethoxyethane; dichloromethane; toluene; 1.1: Metallation / 1.2: Condensation / 2.1: Reduction / 3.1: Oxidation;

DOI:10.1248/cpb.48.694

upstream raw materials:

(E)-3-(4-(trifluoromethoxy)phenyl)prop-2-en-1-ol

p-trifluoromethoxybenzaldehyde

(E)-ethyl 3-(4-(trifluoromethoxy)phenyl)acrylate

Downstream raw materials:

3-(4-trifluoromethoxyphenyl)acryloyl chloride

Refernces

• 1、 -. "Triazole antifungal agent". . . Retrieved 2008/06/13.