2,4-Difluoro-1-isocyanobenzene

Base Information

• Chemical Name: 2,4-Difluoro-1-isocyanobenzene
• CAS No.: 428818-83-1
• Molecular Formula: C₇H₃F₂N
• Molecular Weight: 139.104
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80374276
• Wikidata: Q82162806
• Mol file: 428818-83-1.mol

Synonyms:2,4-difluoro-1-isocyanobenzene;428818-83-1;2,4-Difluorophenyl isocyanide;2,4-Difluorophenylisocyanide;SCHEMBL12136644;DTXSID80374276;BBL021260;MFCD02664628;STK893966;AKOS005144177;EN300-1177222

Chemical Property of 2,4-Difluoro-1-isocyanobenzene

Chemical Property:

• PSA: 0.00000
• LogP: 1.74630
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 139.02335542
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

2,4-difluorophenylisocyanide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[N+]C1=C(C=C(C=C1)F)F

Technology Process of 2,4-Difluoro-1-isocyanobenzene

There total 1 articles about 2,4-Difluoro-1-isocyanobenzene 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: 91.0%

N-(2,4-difluorophenyl)formamide → 2,4-difluoro-1-isocyanobenzene (428818-83-1)

Guidance literature:

With triethylamine; trichlorophosphate; In dichloromethane; for 0.0666667h; Cooling with ice; Green chemistry;

DOI:10.1039/d0gc02722g

Reference yield: 70.0%

2,4-difluoro-1-isocyanobenzene (428818-83-1) + 1-(4-bromophenyl)-2,2-dihydroxyethanone (80352-42-7) + o-carboxybenzaldehyde (119-67-5) → 3-(4-bromobenzoyl)-N-(2,4-difluorophenyl)-4-hydroxy-1-oxoisochroman-3-carboxamide

Guidance literature:

In 1,4-dioxane; at 20 ℃;

DOI:10.1021/ol502048e

Refernces