N-(4-Bromophenyl)-3-methyl-N-(1-methylethyl)-2-butenamide

Base Information

Chemical Name:N-(4-Bromophenyl)-3-methyl-N-(1-methylethyl)-2-butenamide
CAS No.:247921-64-8
Molecular Formula:C₁₄H₁₈BrNO
Molecular Weight:296.207
Hs Code.:
DSSTox Substance ID:DTXSID701198562

Synonyms:SCHEMBL6222858;DTXSID701198562;N-(4-Bromophenyl)-3-methyl-N-(1-methylethyl)-2-butenamide;247921-64-8

Suppliers and Price of N-(4-Bromophenyl)-3-methyl-N-(1-methylethyl)-2-butenamide

Supply Marketing:

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

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Chemical Property of N-(4-Bromophenyl)-3-methyl-N-(1-methylethyl)-2-butenamide

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:295.05718
Heavy Atom Count:17
Complexity:287

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)N(C1=CC=C(C=C1)Br)C(=O)C=C(C)C

Technology Process of N-(4-Bromophenyl)-3-methyl-N-(1-methylethyl)-2-butenamide

There total 2 articles about N-(4-Bromophenyl)-3-methyl-N-(1-methylethyl)-2-butenamide 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: 66.0%

: 3350-78-5
3,3-Dimethylacryloyl chloride

: 121086-19-9
(4-bromophenyl)isopropylamine

: 247921-64-8
N-(4-bromophenyl)-N-isopropyl-3-methyl-2-butenamide

Guidance literature:: With sodium hydroxide; In dichloromethane; at 20 ℃; for 24h;
DOI:10.1021/jm9900974

Reference yield:

: 106-40-1
4-bromo-aniline

: 247921-64-8
N-(4-bromophenyl)-N-isopropyl-3-methyl-2-butenamide

Guidance literature:: Multi-step reaction with 2 steps

1.1: titanium(IV) isopropoxide / ethanol / 12 h / 20 °C

1.2: 78 percent / NaBH₄ / ethanol / 2 h / 20 °C

2.1: 66 percent / aq. NaOH / CH₂Cl₂ / 24 h / 20 °C

With titanium(IV) isopropylate; sodium hydroxide; In ethanol; dichloromethane; 1.1: Condensation / 1.2: Reduction / 2.1: Acylation;
DOI:10.1021/jm9900974

Reference yield:

: 247921-64-8
N-(4-bromophenyl)-N-isopropyl-3-methyl-2-butenamide

: NHet₁₇

Guidance literature:: Multi-step reaction with 5 steps

1: 88 percent / AlCl₃ / 1 h / 110 °C

2: 81 percent / BH₃*SMe₂ / toluene / 1.5 h / Heating

3: 75 percent / dimethylformamide / 24 h / Heating

4: 34 percent / aq. KOH; diethylene glycol / 48 h / Heating

5: 63 percent / dicyclohexylcarbodiimide; DMAP / CH₂Cl₂ / 24 h / 20 °C

With dmap; potassium hydroxide; aluminium trichloride; dimethylsulfide borane complex; dicyclohexyl-carbodiimide; diethylene glycol; In dichloromethane; N,N-dimethyl-formamide; toluene; 1: Cyclization / 2: Reduction / 3: Substitution / 4: Hydrolysis / 5: Esterification;
DOI:10.1021/jm9900974