2,4-Difluorobenzylisocyanide

Base Information

• Chemical Name: 2,4-Difluorobenzylisocyanide
• CAS No.: 730964-55-3
• Molecular Formula: C₈H₅F₂N
• Molecular Weight: 153.131
• European Community (EC) Number: 673-581-7
• DSSTox Substance ID: DTXSID90374242
• Wikidata: Q82162760
• Mol file: 730964-55-3.mol

Synonyms:2,4-Difluorobenzylisocyanide;2,4-difluoro-1-(isocyanomethyl)benzene;730964-55-3;DTXSID90374242;GEO-03698;MFCD04117523;AKOS006292133;EN300-1854544

Chemical Property of 2,4-Difluorobenzylisocyanide

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.03900549
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

98%Min ^*data from raw suppliers

PN100273:2,4-Difluorbenzylisocyanide 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: [C-]#[N+]CC1=C(C=C(C=C1)F)F

Technology Process of 2,4-Difluorobenzylisocyanide

There total 2 articles about 2,4-Difluorobenzylisocyanide 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: 88.0%

N-(2,4-difluorobenzyl)formamide → 2,4-difluoro-1-(isocyanomethyl)benzene (730964-55-3)

Guidance literature:

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

DOI:10.1039/d0gc02722g

Reference yield:

2,4-Difluoro-benzylamine (72235-52-0) → 2,4-difluoro-1-(isocyanomethyl)benzene (730964-55-3)

Guidance literature:

Multi-step reaction with 2 steps

1: water / 125 °C / Microwave irradiation; Inert atmosphere

2: diisopropylamine; trichlorophosphate / dichloromethane / -30 °C / Inert atmosphere

With diisopropylamine; trichlorophosphate; In dichloromethane; water;

DOI:10.1002/anie.201306663

upstream raw materials:

2,4-Difluoro-benzylamine

Refernces

• 1、 Buyck, Thomas,Wang, Qian,Zhu, Jieping. "Catalytic enantioselective Michael addition of α-aryl-α- isocyanoacetates to vinyl selenone: Synthesis of α,α-disubstituted α-amino acids and (+)- and (-)-trigonoliimine A". . p. 12714 - 12718. Retrieved 2013/12/04.