N,N-Diallyl-2,2,2-trifluoroacetamide

Base Information

• Chemical Name: N,N-Diallyl-2,2,2-trifluoroacetamide
• CAS No.: 14618-49-6
• Molecular Formula: C8H10 F3 N O
• Molecular Weight: 193.169
• Hs Code.: 2924199090
• European Community (EC) Number: 625-441-1
• NSC Number: 59282
• DSSTox Substance ID: DTXSID40289115
• Nikkaji Number: J698.494K
• Wikidata: Q82026293
• Mol file: 14618-49-6.mol

Synonyms:N,N-Diallyl-2,2,2-trifluoroacetamide;14618-49-6;2,2,2-trifluoro-N,N-bis(prop-2-enyl)acetamide;N,N-Diallyltrifluoroacetamide;NSC 59282;Acetamide, 2,2,2-trifluoro-N,N-di-2-propen-1-yl-;NSC59282;SCHEMBL1231260;DTXSID40289115;NSC-59282;AKOS003863390;N,N-Diallyl-2,2,2-trifluoro-acetamide;N,N-Diallyl-2,2,2-trifluoroacetamide,97%;N,N-Diallyl-2,2,2-trifluoroacetamide, 98%;J-008200

Chemical Property of N,N-Diallyl-2,2,2-trifluoroacetamide

Chemical Property:

• Vapor Pressure: 0.107mmHg at 25°C
• Refractive Index: n20/D 1.413(lit.)
• Boiling Point: 221.5°Cat760mmHg
• Flash Point: 87.8°C
• PSA: 20.31000
• Density: 1.126g/cm³
• LogP: 1.74930
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 193.07144843
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

N,N-Diallyl-2,2,2-trifluoroacetamide 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCN(CC=C)C(=O)C(F)(F)F
• Uses: N,N-Diallyl-2,2,2-trifluoroacetamide may be used as a substrate for ring-closing metathesis (RCM) reaction.

Technology Process of N,N-Diallyl-2,2,2-trifluoroacetamide

There total 3 articles about N,N-Diallyl-2,2,2-trifluoroacetamide 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: 80.0%

trifluoroacetic anhydride (407-25-0) + diallylamine (124-02-7) → N,N-diallyl trifluoroacetamide (14618-49-6)

Guidance literature:

With pyridine; In dichloromethane;

DOI:10.1021/ja00140a015

Reference yield: 53.0%

1,1,1-Trichloro-2,2,2-trifluoroethane (354-58-5) + diallylamine (124-02-7) → N,N-diallyl trifluoroacetamide (14618-49-6)

Guidance literature:

With tetrabutylammonium perchlorate; C₅₂H₇₃CoN₄O₁₄⁽¹⁺⁾*ClO₄^(1-); In acetonitrile; at 20 ℃; for 1.5h; Electrolysis;

DOI:10.1142/S1088424621500292

Reference yield:

→ N,N-diallyl trifluoroacetamide (14618-49-6)

Guidance literature:

DOI:10.1021/jo00820a024

upstream raw materials:

trifluoroacetic anhydride

diallylamine

1,1,1-Trichloro-2,2,2-trifluoroethane

Downstream raw materials:

2,2,2-trifluoroacetamide

trans-1-trifluoroacetyl-3-hydroxymethyl-4-methylpyrrolidine

1-(2,5-dihydro-1H-pyrrol-1-yl)-2,2,2-trifluoroethanone

Refernces

• 1、 Nugent, William A.,Feldman, Jerald,Calabrese, Joseph C.. "Practical catalyst for cyclic metathesis. Synthesis of functional and/or enantiopure cycloalkenes". . p. 8992 - 8998. Retrieved 2007/10/02.