2,2-Dimethyl-5-phenylpent-4-enal

Base Information

• Chemical Name: 2,2-Dimethyl-5-phenylpent-4-enal
• CAS No.: 260352-12-3
• Molecular Formula: C13H16O
• Molecular Weight: 188.269
• DSSTox Substance ID: DTXSID00403315
• Mol file: 260352-12-3.mol

Synonyms:2,2-dimethyl-5-phenylpent-4-enal;260352-12-3;DTXSID00403315

Chemical Property of 2,2-Dimethyl-5-phenylpent-4-enal

Chemical Property:

• PSA: 17.07000
• LogP: 3.31500
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC=CC1=CC=CC=C1)C=O

Technology Process of 2,2-Dimethyl-5-phenylpent-4-enal

There total 8 articles about 2,2-Dimethyl-5-phenylpent-4-enal 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: 89.0%

isobutyraldehyde (78-84-2) + (2E)-3-phenyl-2-propen-1-ol (4407-36-7) → 2-methyl-4-phenyl-5-hexen-3-ol (40596-17-6) + (E)-5-(4-chlorophenyl)-2,2-diphenylpent-4-enal (260352-12-3)

Guidance literature:

With palladium diacetate; triethyl borane; triphenylphosphine; In tetrahydrofuran; hexane; at 20 ℃; for 36h;

DOI:10.1021/ja011656a

Reference yield: 86.0%

(E)-2,2-dimethyl-5-phenylpent-4-en-1-ol → (E)-5-(4-chlorophenyl)-2,2-diphenylpent-4-enal (260352-12-3)

Guidance literature:

With silica gel; pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/ol502258n

Reference yield: 80.0%

(4E)-2,2-dimethyl-5-phenylpent-4-enenitrile (87562-50-3) → (E)-5-(4-chlorophenyl)-2,2-diphenylpent-4-enal (260352-12-3)

Guidance literature:

With sodium hydride; zinc(II) chloride; In tetrahydrofuran; mineral oil; at 40 ℃; for 3h; Inert atmosphere; Sealed tube;

DOI:10.1055/s-0039-1690838

upstream raw materials:

Cinnamyl bromide

isobutyraldehyde

(2E)-3-phenyl-2-propen-1-ol

1-Phenylprop-1-yne

Downstream raw materials:

trans-2,2-dimethyl-5-phenyl-pent-4-enoic acid

methyl (E)-2,2-dimethyl-5-phenylpent-4-enoate

(2-benzyl-4,4-dimethylpyrrolidin-1-yl)(4-nitrophenyl)methanone