2-(2,6-Diethyl-4-methylphenyl)malonamide

Base Information

• Chemical Name: 2-(2,6-Diethyl-4-methylphenyl)malonamide
• CAS No.: 314020-40-1
• Molecular Formula: C₁₄H₂₀N₂O₂
• Molecular Weight: 248.325
• European Community (EC) Number: 608-615-1
• DSSTox Substance ID: DTXSID401032365
• Mol file: 314020-40-1.mol

Synonyms:2-(2,6-diethyl-4-methylphenyl)malonamide;314020-40-1;Propanediamide, 2-(2,6-diethyl-4-methylphenyl)-;SCHEMBL6806730;MBCOLUIVZSFWBX-UHFFFAOYSA-N;DTXSID401032365;NS00077812;2-(2,6-diethyl-4-methyl-phenyl)-malonamide;2,6-diethyl-4-methylphenylmalonic acid diamide

Chemical Property of 2-(2,6-Diethyl-4-methylphenyl)malonamide

Chemical Property:

• Vapor Pressure: 2.57E-08mmHg at 25°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 248.152477885
• Heavy Atom Count: 18
• Complexity: 289

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC(=CC(=C1C(C(=O)N)C(=O)N)CC)C

Technology Process of 2-(2,6-Diethyl-4-methylphenyl)malonamide

There total 5 articles about 2-(2,6-Diethyl-4-methylphenyl)malonamide 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: 97.0%

2-(2,6-diethyl-4-methylbenzene)malononitrile (314020-53-6) → 2-(2,6-diethyl-4-methylbenzene)malonamide (314020-40-1)

Guidance literature:

With sulfuric acid; water; at 50 ℃; for 5h;

Reference yield: 88.0%

2‐(2,6‐diethyl‐4‐methylcyclohex‐2‐en‐1‐ylidene)malononitrile → 2-(2,6-diethyl-4-methylbenzene)malonamide (314020-40-1)

Guidance literature:

With sulfuric acid; In water; at 0 - 80 ℃; Reagent/catalyst; Temperature;

Reference yield:

2,6-diethyl-4-methylaniline (24544-08-9) → 2-(2,6-diethyl-4-methylbenzene)malonamide (314020-40-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium nitrite; hydrogen bromide / water / 0.5 h / 0 - 5 °C

1.2: 4 h / 5 - 60 °C

2.1: sodium hydride / 1-methyl-pyrrolidin-2-one / 2 h / 100 - 110 °C / Inert atmosphere

2.2: 10 h / 120 - 130 °C / Inert atmosphere

3.1: sodium hydroxide; dihydrogen peroxide / 2 h / 50 - 60 °C

With hydrogen bromide; dihydrogen peroxide; sodium hydride; sodium hydroxide; sodium nitrite; In 1-methyl-pyrrolidin-2-one; water;

upstream raw materials:

1-bromo-2,6-diethyl-4-methylbenzene

2-(2,6-diethyl-4-methylbenzene)malononitrile

2,6-diethyl-4-methylaniline

Downstream raw materials:

pinoxaden

8-(2,6-diethyl-4-methylphenyl)-3-methoxytetrahydropyrazolo[1,2-a][1,2,5]triazepine-7,9-dione

Refernces

• 1、 -. "Conjugated triene compound and preparation method and application thereof". Paragraph 0069-0072. . Retrieved 2020/05/14.
• 2、 -. "METHOD FOR PREPARING 2-ARYL MALONAMIDE AND APPLICATIONS THEREOF". Paragraph 0020. . Retrieved 2020/02/13.