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(2,6-diethyl-4-methylphenyl)propanedinitrile, also known as Diphenylacetonitrile, is a colorless liquid chemical compound with the molecular formula C16H21N. It is characterized by its strong, almond-like odor and is considered a moderately toxic substance. This versatile compound plays a significant role in the field of organic chemistry due to its wide range of applications.

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  • 314020-53-6 Structure
  • Basic information

    1. Product Name: (2,6-diethyl-4-methylphenyl)propanedinitrile
    2. Synonyms: (2,6-Diethyl-4-methylphenyl)malononitrile; propanedinitrile, 2-(2,6-diethyl-4-methylphenyl)-
    3. CAS NO:314020-53-6
    4. Molecular Formula: C14H16N2
    5. Molecular Weight: 212.2902
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 314020-53-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 323.591°C at 760 mmHg
    3. Flash Point: 139.605°C
    4. Appearance: N/A
    5. Density: 1.02g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.529
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (2,6-diethyl-4-methylphenyl)propanedinitrile(CAS DataBase Reference)
    11. NIST Chemistry Reference: (2,6-diethyl-4-methylphenyl)propanedinitrile(314020-53-6)
    12. EPA Substance Registry System: (2,6-diethyl-4-methylphenyl)propanedinitrile(314020-53-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 314020-53-6(Hazardous Substances Data)

314020-53-6 Usage

Uses

Used in Pharmaceutical Industry:
(2,6-diethyl-4-methylphenyl)propanedinitrile is used as a raw material for the manufacturing of pharmaceuticals. Its unique chemical structure allows it to be a key component in the synthesis of various medicinal compounds, contributing to the development of new drugs and therapies.
Used in Fragrance Industry:
(2,6-diethyl-4-methylphenyl)propanedinitrile is used as a raw material in the production of fragrances. Its strong, almond-like odor makes it a valuable ingredient in creating various scent profiles for perfumes, colognes, and other fragrance products.
Used in Organic Synthesis:
(2,6-diethyl-4-methylphenyl)propanedinitrile serves as a building block in organic synthesis, allowing chemists to create a variety of other compounds. Its versatile chemical properties make it a useful intermediate in the synthesis of complex organic molecules.
Used in Chemical Research:
(2,6-diethyl-4-methylphenyl)propanedinitrile is utilized in chemical research to study its properties and explore its potential applications. Researchers use this compound to investigate its reactivity, stability, and interactions with other chemicals, leading to a better understanding of its role in organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 314020-53-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,1,4,0,2 and 0 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 314020-53:
(8*3)+(7*1)+(6*4)+(5*0)+(4*2)+(3*0)+(2*5)+(1*3)=76
76 % 10 = 6
So 314020-53-6 is a valid CAS Registry Number.

314020-53-6Relevant articles and documents

Halogenated conjugated diene compound and preparation method and application thereof

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Paragraph 0048-0055; 0056-0057, (2020/07/15)

The invention provides a novel halogenated conjugated diene compound 1 as well as a preparation method and application thereof. A conjugated diene compound is used as a raw material and is subjected to halogenation reaction to obtain a compound 1. A 2-aryl malonic acid derivative obtained by dehydrohalogenation aromatization reaction of the compound 1 can be applied to synthesis of a compound withbiological activity. The invention has the following remarkable characteristics and advantages: (1) the invention provides a novel halogenated conjugated diene compound 1 and a synthetic method thereof; and (2) the new compound 1 with the multifunctional group can be used for synthesizing other compounds with important values through further functional group conversion reaction.

Method and catalyst system for preparation of aromatic malononitrile

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Paragraph 0045; 0048; 0051, (2020/04/17)

The invention provides a method and a catalyst system for preparation of aromatic malononitrile. The preparation method of the aromatic malononitrile comprises the step of reacting at least one aromatic iodine compound with malononitrile in a solvent in t

Conjugated triene compound and preparation method and application thereof

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Paragraph 0063-0066, (2020/05/14)

The invention provides a novel conjugated triene compound 1 and a preparation method and application thereof. By taking a 2-(cyclohexenyl) malonic acid derivative compound as a raw material, isomerization reaction, halogenation reaction in the presence of a halogenation reagent and dehydrohalogenation reaction at a certain temperature are sequentially carried out to obtain a conjugated triene compound 1; 2-aryl malonic acid derivative obtained by aromatization reaction of the conjugated triene compound 1 can be applied to synthesis of compounds with biological activity. The invention has the following remarkable characteristics and advantages: (1) the invention provides a novel conjugated triene compound 1 and a synthetic method thereof; and (2) the new compound 1 with the multifunctionalgroup can be used for synthesizing other compounds with important values through further functional group conversion reaction.

Method for preparing 2-arylmalonic acid derivative, intermediate and application thereof

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Paragraph 0034-0049, (2020/07/15)

The invention provides a method for preparing a 2-arylmalonic acid derivative, an intermediate and application thereof. According to the method, a cyclohexadiene compound is used as a raw material, and the 2-arylmalonic acid derivative 3 is obtained through an isomerization reaction, a halogenation reaction in the presence of a halogenation reagent and a dehydrohalogenation aromatization reactionat a certain temperature in sequence. Compared with the prior art, the method has the following remarkable characteristics and advantages: (1) expensive metal catalysts are not needed in the reaction;(2) strong base with potential safety hazards is not needed in the reaction; and (3) the reaction is safe, the conditions are mild, the yield is high, the cost is low, and industrial production is facilitated.

Method for preparing 2,6-diethyl-4-methyl phenylmalonitrile

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Paragraph 0022-0039, (2019/05/04)

The invention relates to a method for preparing 2,6-diethyl-4-methyl phenylmalonitrile. In the presence of a catalyst, 2,6-diethyl-4-methyl bromobenzene, malononitrile and alkali react in an inert solvent to obtain 2,6-diethyl-4-methyl phenylmalonitrile;

Synthesis method of 2-(2,6-diethyl-4-methylphenyl)propanedinitrile

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Paragraph 0023-0079, (2019/02/21)

The invention discloses a synthesis method of 2-(2,6-diethyl-4-methylphenyl)propanedinitrile. The method comprises the following steps of using 4-methyl-2,6-diethyl bromobenzene and propanedinitrile as raw materials, and in an alkaline condition, catalyzi

A 2, 6 - diethyl -4 - methyl phenyl malononitrile preparation method

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Paragraph 0022-0041, (2019/07/04)

The invention relates to a 2, 6 - diethyl - 4 - methyl phenyl malononitrile preparation method, in the presence of a copper catalyst, 2, 6 - diethyl - 4 - methyl bromo, malononitrile and alkali in an inert solvent to obtain 2, 6 - diethyl - 4 - methyl phe

Phenyl pyrazoline compound with bioactivity and preparation method and application thereof

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Paragraph 0059; 0060; 0062, (2019/08/26)

The invention discloses a phenyl pyrazoline compound shown as a formula (I) and a preparation method and application thereof. R, R1, R2, R3 and R4 in the formula are defined in the specification. Thecompound shown as the formula (I) has herbicidal, insecticidal/acaricidal or bactericidal bioactivity and has high activity especially on weeds.

Preparation method and application of 2-aryl malonic acid derivative

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Paragraph 0046-0048; 0050; 0052; 0053, (2018/07/30)

The invention provides a preparation method and application of 2-aryl malonic acid derivative. The preparation method includes: using a cyclohexenone derivative as a raw material to be in condensationreaction with a malonic acid derivative at the presence of a catalyst A to obtain a 2-(cyclohexenylene) malonic acid derivative; enabling the 2-(cyclohexenylene) malonic acid derivative to be in aromatization reaction under action of a catalyst B to obtain the 2-aryl malonic acid derivative. Compared with the prior art, the preparation method is totally different from existing methods in synthesis strategy and used raw materials and has the advantages that reaction raw materials are easy to obtain; no solvent is needed during reaction, and yield is high; the catalyst B can be recycled, so that cost is lowered; the preparation method is high in yield, few in three wastes, environment-friendly and conducive to industrial production.

Preparation method and intermediate of pinoxaden

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Paragraph 0036; 0037, (2018/07/30)

The invention provides a preparation method and an intermediate of pinoxaden. The preparation method includes: using 2-methylacrolein as a raw material; subjecting the raw material to cyclization andaromatization to obtain herbicide-pinoxaden. Compared with the prior art, the preparation method has the distinguishing features and the advantages that a completely different preparation strategy isadopted; a completely different nonaromatic compound is used as the raw material which is safe and easy to obtain; the preparation method is few in three wastes, low in cost and conducive to industrial production.

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