2-Benzylbutanal

Base Information

• Chemical Name: 2-Benzylbutanal
• CAS No.: 24569-60-6
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• NSC Number: 160526
• Nikkaji Number: J1.013.854J
• Mol file: 24569-60-6.mol

Synonyms:2-benzylbutanal;24569-60-6;NSC160526;SCHEMBL1774298;.gamma.-Ethyl-benzylacetaldehyde;ROPNSYBZOVTZBB-UHFFFAOYSA-N;STL563376;AKOS017385775;NSC-160526

Chemical Property of 2-Benzylbutanal

Chemical Property:

• Vapor Pressure: 0.0518mmHg at 25°C
• Boiling Point: 234.8°C at 760 mmHg
• Flash Point: 101.5°C
• Density: 0.957g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Benzylbutanal

There total 14 articles about 2-Benzylbutanal 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: 73.0%

iodobenzene (591-50-4) + 2-Methylbutyraldehyde (96-17-3,57456-98-1) → 2-ethyl-3-phenylpropanal (24569-60-6)

Guidance literature:

With palladium diacetate; silver trifluoroacetate; 3-amino propanoic acid; In acetic acid; at 80 ℃; for 24h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/jacs.6b08478

Reference yield: 57.0%

N-(3-Phenyl-propyliden)-isopropylamin (26029-57-2) + ethyl iodide (75-03-6) → 2-ethyl-3-phenylpropanal (24569-60-6)

Guidance literature:

With strontium; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1246/cl.2005.760

Reference yield:

formic acid (64-18-6) + 4-Phenylbut-1-ene (768-56-9) → 4-phenyl-2-methylbutanal (40654-82-8) + 2-ethyl-3-phenylpropanal (24569-60-6) + 5-phenyl-1-pentanal (36884-28-3)

Guidance literature:

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; bis(1,5-cyclooctadiene)diiridium(I) dichloride; dicyclohexyl-carbodiimide; In acetonitrile; at 90 ℃; for 24h; Overall yield = 80 %; Overall yield = 65.1 mg; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b02047

upstream raw materials:

2-benzyl butanol

(E)-2-benzylidenebutanal

4,4,6-trimethyl-2-vinyl-5,6-dihydro-4H-[1,3]oxazine

ethyl iodide

Downstream raw materials:

(R)-2-(phenylmethyl)butanol

(2S)-2-Benzyl-1-butanol

C₁₉H₂₂N₂SO