N,N-Dimethyl-3-(trifluoromethyl)benzamide

Base Information

• Chemical Name: N,N-Dimethyl-3-(trifluoromethyl)benzamide
• CAS No.: 90238-10-1
• Molecular Formula: C10H10 F3 N O
• Molecular Weight: 217.191
• Hs Code.: 2924297099
• European Community (EC) Number: 623-054-2
• DSSTox Substance ID: DTXSID50350865
• Nikkaji Number: J1.548.750J
• Wikidata: Q82126956
• Mol file: 90238-10-1.mol

Synonyms:N,N-Dimethyl-3-(trifluoromethyl)benzamide;90238-10-1;SCHEMBL3876454;DTXSID50350865;3-CF3-C6H4CON(CH3)2;MFCD00274320;AKOS008933190;n,n-dimethyl-3-trifluoromethyl-benzamide;NCGC00330376-01;Benzamide, 3-trifluoromethyl-N,N-dimethyl-;CS-0368042;FT-0642160;AB01325259-02;N,N-Dimethyl-3-(trifluoromethyl)benzamide, 99%;A843475;Z32014376

Chemical Property of N,N-Dimethyl-3-(trifluoromethyl)benzamide

Chemical Property:

• Vapor Pressure: 0.00542mmHg at 25°C
• Refractive Index: n20/D 1.479(lit.)
• Boiling Point: 223 °C(lit.)
• PKA: -1.94±0.70(Predicted)
• Flash Point: >230 °F
• PSA: 20.31000
• Density: 1.255 g/mL at 25 °C(lit.)
• LogP: 2.40720
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 217.07144843
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

N,N-Dimethyl-3-(trifluoromethyl)benzamide 99% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-43-52/53
• Safety Statements: 26-36/37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)C1=CC(=CC=C1)C(F)(F)F

Technology Process of N,N-Dimethyl-3-(trifluoromethyl)benzamide

There total 4 articles about N,N-Dimethyl-3-(trifluoromethyl)benzamide 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: 84.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3-trifluoromethylphenylacetonitrile (2338-76-3) → N,N-dimethyl-4-(trifluoromethyl)benzamide (90238-10-1)

Guidance literature:

With copper(I) oxide; 1,10-Phenanthroline; oxygen; toluene-4-sulfonic acid; at 140 ℃; for 24h; under 760.051 Torr; Sealed tube;

DOI:10.1039/c3ob41855c

Reference yield: 66.0%

Umemoto's reagent (129946-88-9) + N,N-dimethylbenzamide-3-boronic acid → N,N-dimethyl-4-(trifluoromethyl)benzamide (90238-10-1)

Guidance literature:

With 2,4,6-trimethyl-pyridine; copper diacetate; In N,N-dimethyl acetamide; at 25 ℃; for 16h; under 760.051 Torr; Inert atmosphere;

DOI:10.1039/c1cc10359h

Reference yield: 35.0%

3-bromo-1-trifluoromethylbenzene (401-78-5) + N,N-dimethyl acetamide (127-19-5,116057-81-9) + carbon monoxide (201230-82-2) → N,N-dimethyl-4-(trifluoromethyl)benzamide (90238-10-1)

Guidance literature:

With 1H-imidazole; bis-triphenylphosphine-palladium(II) chloride; at 120 ℃; for 18h; under 3750.38 Torr;

DOI:10.1021/jo015577t

upstream raw materials:

3-bromo-1-trifluoromethylbenzene

N,N-dimethyl acetamide

carbon monoxide

N,N-dimethylammonium chloride

Downstream raw materials:

3-(trifluoromethyl)benzoic acid