2,2-Difluoro-3-methylbut-3-enal

Base Information

• Chemical Name: 2,2-Difluoro-3-methylbut-3-enal
• CAS No.: 104415-97-6
• Molecular Formula: C5H6F2O
• DSSTox Substance ID: DTXSID10542961
• Wikidata: Q82419771
• Mol file: 104415-97-6.mol

Synonyms:2,2-Difluoro-3-methylbut-3-enal;3-Butenal, 2,2-difluoro-3-methyl-;104415-97-6;DTXSID10542961;ORBGCZMCEFVLES-UHFFFAOYSA-N

Chemical Property of 2,2-Difluoro-3-methylbut-3-enal

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 120.03867113
• Heavy Atom Count: 8
• Complexity: 118

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C(C=O)(F)F

Technology Process of 2,2-Difluoro-3-methylbut-3-enal

There total 4 articles about 2,2-Difluoro-3-methylbut-3-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:

2,2-dimethyl-3,3,4-trifluorooxetane (27035-14-9) → 3-bromo-2,2-difluoro-3-methyl-1,1-butanediol (104416-05-9) + 5,5-difluoro-2-(1,1-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxy-6,6-dimethyl-1,3-dioxan (104416-07-1) + 2,2-difluoro-3-methyl-3-butenal (104415-97-6)

Guidance literature:

With hydrogen bromide; silica gel; at 60 - 70 ℃; for 7h; Product distribution;

Reference yield:

2,2-dimethyl-3,3,4-trifluorooxetane (27035-14-9) → 3-chloro-2,2-difluoro-3-methyl-1,1-butanediol (104416-04-8) + 4-chloro-3,3-difluoro-2,2-dimethyloxetane (104416-09-3) + 5,5-difluoro-2-(1,1-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxy-6,6-dimethyl-1,3-dioxan (104416-07-1) + 2,2-difluoro-3-methyl-3-butenal (104415-97-6)

Guidance literature:

With hydrogenchloride; silica gel; at 40 - 60 ℃; for 14h; Product distribution;

Reference yield:

methanol (67-56-1) + 2,2-dimethyl-3,3,4-trifluorooxetane (27035-14-9) → 3-chloro-2,2-difluoro-3-methyl-1,1-butanediol (104416-04-8) + 2,2-difluoro-3-methyl-3-butenal dimethyl acetal (104415-99-8) + 2,2-difluoro-3-methyl-3-butenal (104415-97-6)

Guidance literature:

With hydrogenchloride; for 336h; Product distribution; Ambient temperature;

upstream raw materials:

methanol

2,2-dimethyl-3,3,4-trifluorooxetane

Downstream raw materials:

2,2-difluoro-3-methyl-3-butenal 2,4-dinitrophenylhydrazone

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