Benzenepropanal, 3-fluoro-4-methyl-

Base Information

• Chemical Name: Benzenepropanal, 3-fluoro-4-methyl-
• CAS No.: 955403-51-7
• Molecular Formula: C₁₀H₁₁FO
• Molecular Weight: 166.195
• DSSTox Substance ID: DTXSID201302970
• Mol file: 955403-51-7.mol

Synonyms:955403-51-7;Benzenepropanal, 3-fluoro-4-methyl-;3-(3-FLUORO-4-METHYLPHENYL)PROPANAL;Benzenepropanal, 3-fluoro-4-methyl- (or 3-(3-Fluoro-4-methylphenyl)propionaldehyde );SCHEMBL585504;3-Fluoro-4-methylbenzenepropanal;ORDCIMNPEHUMOL-UHFFFAOYSA-N;DTXSID201302970;Benzenepropanal,3-fluoro-4-methyl-;AKOS006290308;3-(3'-Fluoro-4'-methylphenyl)propionaldehyde;3-(3-fluoro-4-methyl-phenyl)-propionaldehyde;EN300-1825691

Chemical Property of Benzenepropanal, 3-fluoro-4-methyl-

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.079393132
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

3-(3-FLUORO-4-METHYL-PHENYL)-PROPIONALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)CCC=O)F

Technology Process of Benzenepropanal, 3-fluoro-4-methyl-

There total 2 articles about Benzenepropanal, 3-fluoro-4-methyl- 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-(3-fluoro-4-methylphenyl)propanal (955403-51-7)

Guidance literature:

Reference yield: 80.0%

2-fluoro-4-iodotoluene (39998-81-7) + allyl alcohol (107-18-6) → 3-(3-fluoro-4-methylphenyl)propanal (955403-51-7)

Guidance literature:

With tetrabutyl-ammonium chloride; palladium diacetate; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 50 ℃;

DOI:10.1016/j.bmcl.2009.05.119

Reference yield: 32.0%

3-(3-fluoro-4-methylphenyl)propanal (955403-51-7) + thiourea (17356-08-0) → C11H11FN2S (923133-90-8)

Guidance literature:

3-(3-fluoro-4-methylphenyl)propanal; With N-chloro-succinimide; L-proline; In dichloromethane; at 20 ℃;

thiourea; In ethanol; Reflux;

DOI:10.1016/j.bmcl.2009.05.119

upstream raw materials:

2-fluoro-4-iodotoluene

allyl alcohol

Downstream raw materials:

C₁₁H₁₁FN₂S