2-Butenamide, 2-methyl-N-2-propynyl-3-(3-(trifluoromethyl)phenyl)-, (E)-

Base Information

Chemical Name:2-Butenamide, 2-methyl-N-2-propynyl-3-(3-(trifluoromethyl)phenyl)-, (E)-
CAS No.:77302-22-8
Molecular Formula:C₁₅H₁₄F₃NO
Molecular Weight:281.277
Hs Code.:
Wikidata:Q76149520
ChEMBL ID:CHEMBL147333

Synonyms:BRN 5064542;trans-alpha,beta-Dimethyl-N-(2-propynyl)-m-trifluoromethylcinnamamide;2-Butenamide, 2-methyl-N-2-propynyl-3-(3-(trifluoromethyl)phenyl)-, (E)-;CINNAMAMIDE, alpha,beta-DIMETHYL-N-(2-PROPYNYL)-m-TRIFLUOROMETHYL-, (E)-;77302-22-8;CHEMBL147333;LS-53945

Suppliers and Price of 2-Butenamide, 2-methyl-N-2-propynyl-3-(3-(trifluoromethyl)phenyl)-, (E)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of 2-Butenamide, 2-methyl-N-2-propynyl-3-(3-(trifluoromethyl)phenyl)-, (E)-

Chemical Property:

Vapor Pressure:3.18E-06mmHg at 25°C
Boiling Point:387.9°C at 760 mmHg
Flash Point:188.4°C
Density:1.175g/cm³
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:281.10274856
Heavy Atom Count:20
Complexity:442

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=C(C)C(=O)NCC#C)C1=CC(=CC=C1)C(F)(F)F
Isomeric SMILES:C/C(=C(/C)\C(=O)NCC#C)/C1=CC(=CC=C1)C(F)(F)F

Technology Process of 2-Butenamide, 2-methyl-N-2-propynyl-3-(3-(trifluoromethyl)phenyl)-, (E)-

There total 3 articles about 2-Butenamide, 2-methyl-N-2-propynyl-3-(3-(trifluoromethyl)phenyl)-, (E)- 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:

: 77302-35-3
(E)-m-(trifluoromethyl)-α,β-dimethylcinnamic acid

: 77302-22-8
(E)-2-Methyl-3-(3-trifluoromethyl-phenyl)-but-2-enoic acid prop-2-ynylamide

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl chloride, CaCO₃ / benzene; dimethylformamide / 24 h / Ambient temperature

2: benzene / 12 h

With oxalyl dichloride; calcium carbonate; In N,N-dimethyl-formamide; benzene;
DOI:10.1021/jm00137a010

Reference yield:

: 52094-29-8,52094-30-1
(Z)-2-Methyl-3-(3-trifluoromethyl-phenyl)-but-2-enoic acid ethyl ester

: 77302-22-8
(E)-2-Methyl-3-(3-trifluoromethyl-phenyl)-but-2-enoic acid prop-2-ynylamide

Guidance literature:: Multi-step reaction with 3 steps

1: KOH / dioxane; H₂O / 8 h / Heating

2: oxalyl chloride, CaCO₃ / benzene; dimethylformamide / 24 h / Ambient temperature

3: benzene / 12 h

With potassium hydroxide; oxalyl dichloride; calcium carbonate; In 1,4-dioxane; water; N,N-dimethyl-formamide; benzene;
DOI:10.1021/jm00137a010