2-Methylidene-3-phenylbutanal

Base Information

• Chemical Name: 2-Methylidene-3-phenylbutanal
• CAS No.: 80691-79-8
• Molecular Formula: C11H12 O
• Molecular Weight: 160.216
• European Community (EC) Number: 279-531-7
• DSSTox Substance ID: DTXSID701001418
• Nikkaji Number: J320.301H
• Mol file: 80691-79-8.mol

Synonyms:2-methylidene-3-phenylbutanal;80691-79-8;EINECS 279-531-7;2-(alpha-Methylbenzyl)acrylaldehyde;2-Methylene-3-phenylbutanal;SCHEMBL15635717;DTXSID701001418;AKOS006330568

Chemical Property of 2-Methylidene-3-phenylbutanal

Chemical Property:

• Boiling Point: 262.4oC at 760 mmHg
• Flash Point: 98.2oC
• PSA: 17.07000
• Density: 0.972g/cm3
• LogP: 2.54520
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

2-METHYLENE-3-PHENYL-BUTYRALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methylidene-3-phenylbutanal

There total 6 articles about 2-Methylidene-3-phenylbutanal 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: 100.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-Phenylbutyraldehyde (16251-77-7) → 2-methylene-3-phenylbutyraldehyde (80691-79-8)

Guidance literature:

With pyrrolidine; In dichloromethane; water; at 45 ℃; for 0.416667h;

DOI:10.1002/ejoc.200700292

Reference yield: 74.0%

2-(1-phenylethyl)propane-1,3-diol (80691-80-1) → 2-methylene-3-phenylbutyraldehyde (80691-79-8)

Guidance literature:

With dimethyl sulfoxide; at 190 ℃; for 24h;

Reference yield: 72.0%

3-Phenylbutyraldehyde (16251-77-7) → 2-methylene-3-phenylbutyraldehyde (80691-79-8)

Guidance literature:

With dimethyl sulfoxide; at 190 ℃; for 24h;

upstream raw materials:

3-Phenylbutyraldehyde

3-phenyl-1-butanol

2-(1-phenylethyl)propane-1,3-diol

formaldehyd

Downstream raw materials:

(S)-2-((R)-1-phenylethyl)oxirane-2-carbaldehyde

(Z)-triethyl((2-methyl-3-phenylbut-1-en-1-yl)oxy)silane

2-methyl-3-phenylbutanal

Refernces

• 1、 Sakaguchi, Satoshi,Yoo, Kyung Soo,O'Neill, Justin,Lee, Joo Ho,Stewart, Timothy,Jung, Kyung Woon. "Chiral palladium(II) complexes possessing a tridentate N-heterocyclic carbene amidate alkoxide ligand: Access to oxygen-bridging dimer structures". supporting information; experimental part. p. 9326 - 9329. Retrieved 2009/05/15.
• 2、 Erkkilae, Anniina,Pihko, Petri M.,Clarke, Melanie-Rose. "Simple primary anilines as iminium catalysts for the epoxidation of α-substituted acroleins". . p. 802 - 806. Retrieved 2008/03/18.