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4-CHLORO-ALPHA-METHYLPHENYLACETONITRILE, also known as PAA or P2P, is a white crystalline solid with a molecular formula of C9H8ClN and a molecular weight of 167.62 g/mol. It is a chemical compound that serves as a key precursor in the synthesis of various psychoactive substances, including amphetamines, methamphetamine, and MDMA. Due to its potential for abuse, PAA is a controlled substance in many countries, subject to strict regulations and monitoring by law enforcement agencies. It is considered a highly hazardous chemical, and its handling and distribution are tightly controlled.

2184-88-5

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2184-88-5 Usage

Uses

Used in Pharmaceutical Industry:
4-CHLORO-ALPHA-METHYLPHENYLACETONITRILE is used as a chemical intermediate for the synthesis of various psychoactive substances, including amphetamines and other prescription medications. Its role in the production of these substances is crucial, as it serves as a starting material for the chemical reactions that lead to the final products.
Used in Illicit Drug Production:
Unfortunately, 4-CHLORO-ALPHA-METHYLPHENYLACETONITRILE is also used as a key precursor in the illegal production of drugs such as methamphetamine and MDMA. Its high demand in the illicit drug market has led to strict regulations and monitoring by law enforcement agencies to prevent its misuse and distribution.
Used in Research and Development:
In a controlled and legal environment, 4-CHLORO-ALPHA-METHYLPHENYLACETONITRILE can be used in research and development for the study of psychoactive substances and their effects on the human body. This can contribute to the development of new medications and therapies for various medical conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 2184-88-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,8 and 4 respectively; the second part has 2 digits, 8 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 2184-88:
(6*2)+(5*1)+(4*8)+(3*4)+(2*8)+(1*8)=85
85 % 10 = 5
So 2184-88-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H8ClN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,1H3

2184-88-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-Chlorophenyl)propanenitrile

1.2 Other means of identification

Product number -
Other names 2-(4'-chlorophenyl)propanenitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2184-88-5 SDS

2184-88-5Relevant academic research and scientific papers

Nickel/Cobalt-Catalyzed Reductive Hydrocyanation of Alkynes with Formamide as the Cyano Source, Dehydrant, Reductant, and Solvent

Zhang, Jin,Luo, Cui-Ping,Yang, Luo

supporting information, p. 283 - 288 (2020/12/01)

A Ni/Co co-catalyzed reductive hydrocyanation of various alkynes was developed for the production of saturated nitriles. Hydrocyanic acid is generated in situ from safe and readily available formamide. Formamide played multiple roles as a cyano source, dehydrant, and reductant for the NiII pre-catalyst and vinyl nitriles, along with acting as the co-solvent in this reaction. Detailed mechanistic investigation supported a pathway via hydrocyanation of C≡C bond and the subsequent reduction of C=C bond. Wide substrate scope, the employment of a cheap and stable nickel salt as pre-catalyst, a safe cyano source and convenient experimental operation render this hydrocyanation practical for the laboratory synthesis of saturated nitriles. (Figure presented.).

Assembly of α-(Hetero)aryl Nitriles via Copper-Catalyzed Coupling Reactions with (Hetero)aryl Chlorides and Bromides

Chen, Ying,Xu, Lanting,Jiang, Yongwen,Ma, Dawei

supporting information, p. 7082 - 7086 (2021/02/26)

α-(Hetero)aryl nitriles are important structural motifs for pharmaceutical design. The known methods for direct synthesis of these compounds via coupling with (hetero)aryl halides suffer from narrow reaction scope. Herein, we report that the combination of copper salts and oxalic diamides enables the coupling of a variety of (hetero)aryl halides (Cl, Br) and ethyl cyanoacetate under mild conditions, affording α-(hetero)arylacetonitriles via one-pot decarboxylation. Additionally, the CuBr/oxalic diamide catalyzed coupling of (hetero)aryl bromides with α-alkyl-substituted ethyl cyanoacetates proceeds smoothly at 60 °C, leading to the formation of α-alkyl (hetero)arylacetonitriles after decarboxylation. The method features a general substrate scope and is compatible with various functionalities and heteroaryls.

Preparation method of nitrile compounds with formamide as cyanide source

-

Paragraph 0015-0023; 0089-0090, (2020/03/09)

The invention discloses a preparation method of nitrile compounds. According to the preparation method, formamide used as a cyanide source undergoes a hydrocyanation reaction with various types of olefins under the action of a nickel catalyst to generate various nitrile compounds, wherein a reaction temperature is 60-160 DEG C and reaction time is 6-36 hours. The method overcomes the defects thata traditional olefin hydrocyanation reaction is complex in operation, needs to use a highly toxic cyanide source as a reaction raw material and the like. According to the method, simple, cheap, greenand non-toxic formamide is used as a cyano source, other dehydrating agents (such as phosphorus pentoxide and phosphorus oxychloride) do not need to be added, and cyano anions are generated through spontaneous dehydration of formamide under the catalysis of Lewis acid and undergo a hydrocyanation reaction with olefin in situ to generate nitrile compounds; reaction conditions are simple, operationis easy, and economical performance and high efficiency are realized; meanwhile, the method is applicable to various monosubstituted and disubstituted aliphatic and aromatic olefins, and shows good substrate universality; the nitrile compounds are insensitive to air, moisture and light and high in yield; and the preparation method is simple in product separation and purification and has good application prospects.

Luminescent tungsten(vi) complexes as photocatalysts for light-driven C-C and C-B bond formation reactions

Chan, Kaai-Tung,Che, Chi-Ming,Du, Lili,Liu, Yungen,Phillips, David Lee,To, Wai-Pong,Tong, Glenna So Ming,Wu, Liang-Liang,Yu, Daohong

, p. 6370 - 6382 (2020/07/15)

The realization of photocatalysis for practical synthetic application hinges on the development of inexpensive photocatalysts which can be prepared on a large scale. Herein an air-stable, visible-light-absorbing photoluminescent tungsten(vi) complex which can be conveniently prepared at the gram-scale is described. This complex could catalyse photochemical organic transformation reactions including borylation of aryl halides, such as aryl chloride, reductive coupling of benzyl bromides for C-C bond formation, reductive coupling of phenacyl bromides, and decarboxylative coupling of redox-active esters of alkyl carboxylic acid with high product yields and broad functional group tolerance.

Ni-Catalyzed hydrocyanation of alkenes with formamide as the cyano source

Shu, Xiao,Jiang, Yuan-Yuan,Kang, Lei,Yang, Luo

supporting information, p. 2734 - 2738 (2020/06/17)

CN generation from formamide dehydration! A novel Ni-catalyzed hydrocyanation of various alkenes to provide aliphatic nitriles is developed by generating hydrocyanic acid in situ from safe and readily available formamide. Excellent linear or branched regio-selectivity, wide substrate scope, cheap and stable nickel salt as a pre-catalyst, a safe cyano source, slow generation of CN to obviate catalyst deactivation and convenient experimental operation would render this hydrocyanation attactive for laboratory synthesis of aliphatic nitriles.

Catalytic C(sp2)-C(sp3) bond formation of methoxyarenes by the organic superbase t-Bu-P4

Shigeno, Masanori,Hayashi, Kazutoshi,Nozawa-Kumada, Kanako,Kondo, Yoshinori

supporting information, p. 9107 - 9113 (2020/11/30)

The organic superbase catalyst t-Bu-P4 achieves nucleophilic aromatic substitution of methoxyarenes with alkanenitrile pronucleophiles. A variety of functional groups [cyano, nitro, (non)enolizable ketone, chloride, and amide moieties] are allowed on methoxyarenes. Moreover, an array of alkanenitriles with/without an aryl moiety at the nitrile α-position can be employed. The system also features no requirement of a stoichiometric base, MeOH (not salt waste) formation as a byproduct, and the production of congested quaternary carbon centers.

Time Programmable Locking/Unlocking of the Calix[4]arene Scaffold by Means of Chemical Fuels

Del Giudice, Daniele,Spatola, Emanuele,Cacciapaglia, Roberta,Casnati, Alessandro,Baldini, Laura,Ercolani, Gianfranco,Di Stefano, Stefano

supporting information, p. 14954 - 14962 (2020/10/19)

In this work, we report that 2-cyano-2-phenylpropanoic acid and its p-Cl, p-CH3 and p-OCH3 derivatives can be used as chemical fuels to control the geometry of the calix[4]arene scaffold in its cone conformation. It is shown that, under the action of the fuel, the cone calix[4]arene platform assumes a “locked” shape with two opposite aromatic rings strongly convergent and the other two strongly divergent (“pinched cone” conformation). Only when the fuel is exhausted, the cone calix[4]arene scaffold returns to its resting, “unlocked” shape. Remarkably, the duration of the “locked” state can be controlled at will by varying the fuel structure or amount. A kinetic study of the process shows that the consume of the fuel is catalyzed by the “unlocked” calixarene that behaves as an autocatalyst for its own production. A mechanism is proposed for the reaction of fuel consumption.

α-Methylation of 2-Arylacetonitrile by a Trimethylamine-Borane/CO2 System

Zhang, Xiaowei,Wang, Sheng,Xi, Chanjuan

, p. 9744 - 9749 (2019/08/16)

A highly selective monomethylation of 2-arylacetonitrile using CO2 is described. The utilization of trimethylamine-borane facilitates the six-electron reduction of CO2. This reaction is the first selective six-electron reductive functionalization of CO2 faciliated by C(sp3)-H bonds. A variety of 2-arylpropionitrile was obtained in good yields. The reaction could also be applied at the gram scale.

Sustainable Alkylation of Nitriles with Alcohols by Manganese Catalysis

Borghs, Jannik C.,Tran, Mai Anh,Sklyaruk, Jan,Rueping, Magnus,El-Sepelgy, Osama

, p. 7927 - 7935 (2019/06/24)

A general and chemoselective catalytic alkylation of nitriles using a homogeneous nonprecious manganese catalyst is presented. This alkylation reaction uses naturally abundant alcohols and readily available nitriles as coupling partners. The reaction tolerates a wide range of functional groups and heterocyclic moieties, efficiently providing useful cyanoalkylated products with water as the only side product. Importantly, methanol can be used as a C1 source and the chemoselective C-methylation of nitriles is achieved. The mechanistic investigations support the multiple role of the metal-ligand manganese catalyst, the dehydrogenative activation of the alcohol, α-C-H activation of the nitrile, and hydrogenation of the in-situ-formed unsaturated intermediate.

Cyanide-Free and Broadly Applicable Enantioselective Synthetic Platform for Chiral Nitriles through a Biocatalytic Approach

Betke, Tobias,Rommelmann, Philipp,Oike, Keiko,Asano, Yasuhisa,Gr?ger, Harald

supporting information, p. 12361 - 12366 (2017/09/06)

A cyanide-free platform technology for the synthesis of chiral nitriles by biocatalytic enantioselective dehydration of a wide range of aldoximes is reported. The nitriles were obtained with high enantiomeric excess of >90 % ee (and up to 99 % ee) in many cases, and a “privileged substrate structure” with respect to high enantioselectivity was identified. Furthermore, a surprising phenomenon was observed for the enantiospecificity that is usually not observed in enzyme catalysis. Depending on whether the E or Z isomer of the racemic aldoxime substrate was employed, one or the other enantiomer of the corresponding nitrile was formed preferentially with the same enzyme.

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