2-Benzyl-propenal

Base Information

• Chemical Name: 2-Benzyl-propenal
• CAS No.: 30457-88-6
• Molecular Formula: C10H10 O
• Molecular Weight: 146.189
• Hs Code.: 2912299000
• DSSTox Substance ID: DTXSID80447954
• Nikkaji Number: J390.116E
• Mol file: 30457-88-6.mol

Synonyms:2-BENZYL-PROPENAL;30457-88-6;2-benzylprop-2-enal;2-benzylacrylaldehyde;Benzenepropanal, alpha-methylene-;2-benzylacrolein;2-Benzylpropenal;2-benzyl acroleine;2-benzyl-2-propenal;SCHEMBL3485127;DTXSID80447954;DHNSDRAPEVOWJB-UHFFFAOYSA-N;AKOS006330567;Ethyl1-phenyl-5-pyrazolinone-3-carboxylate;FT-0743016

Chemical Property of 2-Benzyl-propenal

Chemical Property:

• Boiling Point: 110-112 °C(Press: 8.03 Torr)
• PSA: 17.07000
• Density: 0.991±0.06 g/cm3(Predicted)
• LogP: 1.98420
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

2-BENZYL-PROPENAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Benzyl-propenal

There total 50 articles about 2-Benzyl-propenal 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%

3-phenyl-propionaldehyde (104-53-0) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 2-benzyl-2-propenal (30457-88-6)

Guidance literature:

With pyrrolidine; In dichloromethane; water; at 45 ℃; for 0.5h; Further Variations:; Reagents; Temperatures; time; Product distribution;

DOI:10.1002/ejoc.200700292

Reference yield: 87.0%

3-phenyl-propionaldehyde (104-53-0) + 1,1-dibromomethane (74-95-3) → 2-benzyl-2-propenal (30457-88-6)

Guidance literature:

With diethylamine; for 0.5h;

DOI:10.1039/c39940002041

Reference yield: 81.0%

4-Phenylbut-1-ene (768-56-9) + 1,1-dibromomethane (74-95-3) → 2-benzyl-2-propenal (30457-88-6)

Guidance literature:

4-Phenylbut-1-ene; With ozone; In dichloromethane; at -78 ℃;

1,1-dibromomethane; With diethylamine; at 55 ℃; for 0.8h;

DOI:10.1016/S0040-4020(98)00216-6

upstream raw materials:

formic acid

1-ethoxy-2-ethoxymethyl-3-phenyl-propan-2-ol

diethyl 2-benzylmalonate

1,3,5-Trioxan

Downstream raw materials:

2-benzylallyl alcohol

(2-dimethoxymethyl-allyl)-benzene