Butanal, 2-(phenylmethylene)-

Base Information

• Chemical Name: Butanal, 2-(phenylmethylene)-
• CAS No.: 351041-63-9
• Molecular Formula: C₁₁H₁₂O
• Molecular Weight: 160.216
• European Community (EC) Number: 249-037-6
• NSC Number: 38977
• UNII: MD8U7J2A25
• Mol file: 351041-63-9.mol

Synonyms:MD8U7J2A25;(2Z)-2-(Phenylmethylene)butanal;UNII-MD8U7J2A25;Butanal, 2-(phenylmethylene)-, (2Z)-;alpha-Ethylcinnamaldehyde, (Z)-;351041-63-9;Butanal, 2-(phenylmethylene)-;28467-92-7;(2Z)-2-benzylidenebutanal;NSC38977;.alpha.-Ethylcinnamaldehyde;SCHEMBL3337166;Cinnamaldehyde, .alpha.-ethyl-;NSC-38977;STL145850;trans-2-ethyl-3-phenyl-acrylaldehyde;AKOS005714955;.ALPHA.-ETHYLCINNAMALDEHYDE, (Z)-;A18571;2-[1-phenyl-meth-(z)-ylidene]-butyraldehyde, AldrichCPR

Chemical Property of Butanal, 2-(phenylmethylene)-

Chemical Property:

• 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: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Butanal, 2-(phenylmethylene)-

There total 2 articles about Butanal, 2-(phenylmethylene)- 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: 86.0%

α,α-bis(trimethylsilyl)-N-tert-butylbutyraldimine (904295-65-4) + benzaldehyde (100-52-7) → (E)-2-benzylidenebutanal (1755-45-9) + (2Z)-2-ethyl-3-phenylprop-2-enal (351041-63-9)

Guidance literature:

α,α-bis(trimethylsilyl)-N-tert-butylbutyraldimine; benzaldehyde; With zinc dibromide; In tetrahydrofuran; at 20 ℃; for 24h;

With water; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1016/j.jorganchem.2006.03.015

Reference yield: 31.0%

tributyl-amine (102-82-9) + benzaldehyde (100-52-7) → (2Z)-2-ethyl-3-phenylprop-2-enal (351041-63-9)

Guidance literature:

benzaldehyde; With titanium tetrachloride; In 1,2-dichloro-ethane; at 25 ℃; for 0.166667h;

tributyl-amine; In 1,2-dichloro-ethane; at 25 ℃; for 1h;

upstream raw materials:

tributyl-amine

benzaldehyde

α,α-bis(trimethylsilyl)-N-tert-butylbutyraldimine