2,3-Dimethyl-but-2-enal

Base Information

• Chemical Name: 2,3-Dimethyl-but-2-enal
• CAS No.: 13153-14-5
• Molecular Formula: C6H10O
• Molecular Weight: 98.1448
• DSSTox Substance ID: DTXSID70451989
• Nikkaji Number: J1.260.239A
• Mol file: 13153-14-5.mol

Synonyms:2,3-dimethyl-but-2-enal;13153-14-5;2,3-Dimethyl-2-butenal;DTXSID70451989;XGSZRMLYTKMPFE-UHFFFAOYSA-N

Chemical Property of 2,3-Dimethyl-but-2-enal

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 96.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=C(C)C=O)C

Technology Process of 2,3-Dimethyl-but-2-enal

There total 1 articles about 2,3-Dimethyl-but-2-enal 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:

2,3-dimethyl-3,4-epoxy-1-butene (34485-82-0) → 3,4-dimethyl-2,5-dihydro-furan (53720-72-2) + 2,3-Dimethyl-2-butenal (13153-14-5) + 2,3-Dimethyl-3-butenal (80719-79-5)

Guidance literature:

With copper(II) hexafluoro-2,4-pentanedionate; In toluene; at 150 ℃; for 2h;

DOI:10.1021/ja067073o

Reference yield: 70.0%

2,3-Dimethyl-2-butenal (13153-14-5) + N-phenyl-N-((trimethylsilyl)methyl)aniline (33183-30-1) → C19H23NO

Guidance literature:

2,3-Dimethyl-2-butenal; N-phenyl-N-((trimethylsilyl)methyl)aniline; With BF₄^(1-)*C₄₀H₄₀IrN₄⁽¹⁺⁾; C₂₇H₃₀BNO*CHF₃O₃S; In dichloromethane; at 25 ℃; for 12h; Irradiation;

With potassium carbonate; In methanol; enantioselective reaction;

DOI:10.1021/acscatal.0c02443

Reference yield: 47.0%

2,3-Dimethyl-2-butenal (13153-14-5) + tert-butyl carbazate (4248-19-5) + Benzenesulfinic acid (618-41-7) → tert-butyl {3-methyl-1-(phenylsulfonyl)but-2-en-1-yl}carbamate (1415303-83-1)

Guidance literature:

With magnesium sulfate; In dichloromethane; at 0 ℃; for 5h;

DOI:10.1021/ol302952r

upstream raw materials:

2,3-dimethyl-3,4-epoxy-1-butene

Downstream raw materials:

2,3,6,7-tetramethyl-octa-2,4t,6-triene

2,3-Dimethyl-crotonaldehyd-p-toluolsulfonylhydrazon

C₄H₆⁽²⁾H₄O₃

acetone

Refernces