(E)-N-(3-(3-(Dimethylamino)acryloyl)phenyl)-N-methylacetamide

Base Information

• Chemical Name: (E)-N-(3-(3-(Dimethylamino)acryloyl)phenyl)-N-methylacetamide
• CAS No.: 96605-65-1
• Molecular Formula: C14H18N2O2
• Molecular Weight: 246.309
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00436688
• Wikidata: Q82251971
• Mol file: 96605-65-1.mol

Synonyms:(E)-N-(3-(3-(Dimethylamino)acryloyl)phenyl)-N-methylacetamide;96605-65-1;1227694-88-3;N-(3-(3-(DIMETHYLAMINO)ACRYLOYL)PHENYL)-N-METHYLACETAMIDE;N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylacetamide;N-[3-[3-(Dimethylamino)-1-oxo-2-propenyl]phenyl]-N-methylacetamide;Acetamide, N-[3-[(2E)-3-(dimethylamino)-1-oxo-2-propen-1-yl]phenyl]-N-methyl-;SCHEMBL524803;DTXSID00436688;CS-B1088;WDA60565;MFCD09833226;DS-7299;D77250;A858682;A927423;Q-100907;N-{3-[(2E)-3-(Dimethylamino)prop-2-enoyl]phenyl}-N-methylacetamide

Chemical Property of (E)-N-(3-(3-(Dimethylamino)acryloyl)phenyl)-N-methylacetamide

Chemical Property:

• PSA: 40.62000
• LogP: 1.92730
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 246.136827821
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

N-[3-((E)-3-DIMETHYLAMINO-ACRYLOYL)-PHENYL]-N-METHYL-ACETAMIDE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C)C1=CC=CC(=C1)C(=O)C=CN(C)C
• Isomeric SMILES: CC(=O)N(C)C1=CC=CC(=C1)C(=O)/C=C/N(C)C

Technology Process of (E)-N-(3-(3-(Dimethylamino)acryloyl)phenyl)-N-methylacetamide

There total 1 articles about (E)-N-(3-(3-(Dimethylamino)acryloyl)phenyl)-N-methylacetamide 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:

N-[3-[3-(Dimethylamino)-1-oxo-2-propenyl]-phenyl]-acetamide (96605-61-7) + methyl iodide (74-88-4) → N-[3-[3-(dimethylamino)-1-oxo-2-propenyl]phenyl]-N-methylacetamide (96605-65-1)

Guidance literature:

In N-methyl-acetamide; hexane; ethyl acetate; mineral oil;

Reference yield: 58.0%

2-Acetylthiophene (88-15-3,97511-16-5) + N-[3-[3-(dimethylamino)-1-oxo-2-propenyl]phenyl]-N-methylacetamide (96605-65-1) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → N-methyl-N-(3-{3-[2-thienylcarbonyl]-pyrazol-[1,5-a]-pyrimidin-7-yl}phenyl)acetamide (325715-02-4)

Guidance literature:

2-Acetylthiophene; N,N-dimethyl-formamide dimethyl acetal; With tris(N,N-dimethylbutyl)benzylammonium chloride; at 150 ℃; for 1h;

With hydroxylamine; at 150 ℃; for 5h;

N-[3-[3-(dimethylamino)-1-oxo-2-propenyl]phenyl]-N-methylacetamide; Reagent/catalyst; Temperature; Further stages;

Reference yield: 29.0%

N-[3-[3-(dimethylamino)-1-oxo-2-propenyl]phenyl]-N-methylacetamide (96605-65-1) + 3(5)-amino-4-nitropyrazole (16115-82-5) → N-methyl-N-[3-(3-nitro-pyrazolo[1,5-a]pyrimidln-7-yl)-phenyl]-acetamide

Guidance literature:

N-[3-[3-(dimethylamino)-1-oxo-2-propenyl]phenyl]-N-methylacetamide; 3⁽⁵⁾-amino-4-nitropyrazole; In acetic acid; for 8h; Heating / reflux;

With sodium hydrogencarbonate; In dichloromethane; water;

upstream raw materials:

N-[3-[3-(Dimethylamino)-1-oxo-2-propenyl]-phenyl]-acetamide

methyl iodide

Downstream raw materials:

N-methyl-N-(3-{3-[2-thienylcarbonyl]-pyrazol-[1,5-a]-pyrimidin-7-yl}phenyl)acetamide

Refernces