alpha-Ethylcinnamaldehyde

Base Information

• Chemical Name: alpha-Ethylcinnamaldehyde
• CAS No.: 1755-45-9
• Molecular Formula: C11H12O
• Molecular Weight: 160.216
• European Community (EC) Number: 249-037-6
• UNII: WUF97WL37C
• DSSTox Substance ID: DTXSID6067389
• Nikkaji Number: J2.518.596J,J250.724B
• Mol file: 1755-45-9.mol

Synonyms:alpha-Ethylcinnamaldehyde;(E)-2-benzylidenebutanal;WUF97WL37C;Butanal, 2-(phenylmethylene)-;(2E)-2-(Phenylmethylene)butanal;1755-45-9;UNII-WUF97WL37C;Butanal, 2-(phenylmethylene)-, (E)-;Cinnamaldehyde, alpha-ethyl-;Butanal, 2-(phenylmethylene)-, (2E)-;28467-92-7;alpha-Ethylcinnamaldehyde, (E)-;(2E)-2-(phenylmethylidene)butanal;EINECS 249-037-6;Cinnamaldehyde, alpha-ethyl-, (E)-;NSC 38977;AI3-14400;UNII-7XLF3P8UUS;2-Ethyl-3-phenylpropenal;7XLF3P8UUS;2-(Phenylmethylene)-Butanal;SCHEMBL8924634;DTXSID6067389;.ALPHA.-ETHYLCINNAMALDEHYDE, (E)-;CINNAMALDEHYDE, .ALPHA.-ETHYL-, (E)-;A1-05030

Chemical Property of alpha-Ethylcinnamaldehyde

Chemical Property:

• PSA: 17.07000
• LogP: 2.67890
• 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:

95% ^*data from raw suppliers

(E)-2-benzylidenebutanal 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of alpha-Ethylcinnamaldehyde

There total 14 articles about alpha-Ethylcinnamaldehyde 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: 96.0%

benzaldehyde (100-52-7) + butyraldehyde (123-72-8) → (E)-2-benzylidenebutanal (1755-45-9)

Guidance literature:

With sodium hydroxide; In methanol; water; at 0 - 25 ℃; for 2h; Temperature;

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: 80.0%

benzaldehyde (100-52-7) + (Z)-2-Trimethylsilanyl-1-trimethylsilanyloxy-but-1-ene (154581-93-8) → (E)-2-benzylidenebutanal (1755-45-9)

Guidance literature:

trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at 0 ℃; for 15h;

DOI:10.1016/S0040-4039(00)61554-X

upstream raw materials:

2-(α-ethoxy-benzyl)-butyraldehyde

benzaldehyde

butyraldehyde

benzaldehyde di-n-butylacetal

Downstream raw materials:

2-ethyl-3-phenylpropanal

2-benzyl butanol

(2-methyl-butyl)-benzene