2-Methyl-3-butenal

Base Information

• Chemical Name: 2-Methyl-3-butenal
• CAS No.: 14690-12-1
• Molecular Formula: C5H8O
• Molecular Weight: 84.1179
• DSSTox Substance ID: DTXSID40457837
• Nikkaji Number: J2.145.973I
• Mol file: 14690-12-1.mol

Synonyms:2-methylbut-3-enal;14690-12-1;2-Methyl-3-butenal;3-Butenal, 2-methyl-;DTXSID40457837;FT-0774960

Chemical Property of 2-Methyl-3-butenal

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 84.057514874
• Heavy Atom Count: 6
• Complexity: 57

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C=C)C=O

Technology Process of 2-Methyl-3-butenal

There total 3 articles about 2-Methyl-3-butenal 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:

carbon monoxide (201230-82-2) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → pentanal (110-62-3) + hexanedial (1072-21-5) + 3-methylpentanal (15877-57-3) + 2-methyl-3-butenal (14690-12-1) + 2-methylpentanedial (7420-87-3)

Guidance literature:

With acetylacetonatodicarbonylrhodium(l); C₄₄H₂₈O₆P₂; hydrogen; In toluene; at 110 ℃; for 1h; under 40504.1 Torr; regioselective reaction;

DOI:10.1021/om200334g

Reference yield:

Dihydromyrcenol (18479-58-8,25279-08-7) → 2-Methylbutyraldehyde (96-17-3,57456-98-1) + 2-methyl-3-butenal (14690-12-1) + 3-methyl-4-pentenal (1777-33-9) + isobutyraldehyde (78-84-2)

Guidance literature:

With hydroxide; In methanol; at 23.84 ℃; under 735.576 Torr; Further Variations:; Reagents; Kinetics; Product distribution;

DOI:10.1002/kin.20174

Reference yield:

isoprene (78-79-5,9003-31-0) → 2-methyl-3,4-epoxy-1-butene (7437-61-8) + 2-methyl-3-butenal (14690-12-1) + 3-methylbut-3-en-1-al (1118-59-8) + nitrogen(II) oxide (10102-43-9) + isoprene epoxide (1838-94-4)

Guidance literature:

With Nitrogen dioxide; In solid matrix; Mechanism; Rate constant; Irradiation; Ar matrix;

DOI:10.1021/j100129a020

upstream raw materials:

isoprene

Dihydromyrcenol

carbon monoxide

buta-1,3-diene

Downstream raw materials:

3-methyl-4-oxobut-2-enyl acetate

4-oxohexanoic acid

Refernces

• 1、 Smith, Stuart E.,Rosendahl, Tobias,Hofmann, Peter. "Toward the rhodium-catalyzed bis-hydroformylation of 1,3-butadiene to adipic aldehyde". experimental part. p. 3643 - 3651. Retrieved 2011/09/20.