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4-(Trifluoromethyl)formanilide, with the molecular formula C8H6F3NO, is a white to light yellow solid chemical compound. It is widely recognized as an essential intermediate in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. Known for its strong analgesic and anti-inflammatory properties, 4-(Trifluoromethyl)formanilide serves as a valuable building block in the chemical industry for the creation of complex organic molecules. Due to its potential hazards upon ingestion, inhalation, or contact with skin and eyes, careful handling is advised.

74702-40-2

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74702-40-2 Usage

Uses

Used in Pharmaceutical Industry:
4-(Trifluoromethyl)formanilide is used as an intermediate for the production of various pharmaceuticals, contributing to the development of new drugs with analgesic and anti-inflammatory properties.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(Trifluoromethyl)formanilide is utilized as a key component in the synthesis of agrochemicals, enhancing crop protection and yield.
Used in Fine Chemicals Production:
4-(Trifluoromethyl)formanilide is employed as an intermediate in the production of fine chemicals, which are essential in various applications such as fragrances, dyes, and specialty chemicals.
Used in Heterocyclic Compounds Synthesis:
4-(Trifluoromethyl)formanilide is used as a building block in the synthesis of various heterocyclic compounds, which are important in the development of pharmaceuticals, agrochemicals, and other chemical products.
Used in Chemical Research:
4-(Trifluoromethyl)formanilide is utilized in chemical research for the exploration of new synthetic pathways and the development of innovative chemical processes.

Check Digit Verification of cas no

The CAS Registry Mumber 74702-40-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,4,7,0 and 2 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 74702-40:
(7*7)+(6*4)+(5*7)+(4*0)+(3*2)+(2*4)+(1*0)=122
122 % 10 = 2
So 74702-40-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H6F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-5H,(H,12,13)

74702-40-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name N-[4-(trifluoromethyl)phenyl]formamide

1.2 Other means of identification

Product number -
Other names 4-trifluorophenyl isocyanate

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:74702-40-2 SDS

74702-40-2Relevant academic research and scientific papers

Olefin functionalized IPr.HCl monomer as well as preparation method and application thereof

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Paragraph 0069-0073; 0074; 0078, (2021/06/21)

The invention relates to an olefin functionalized IPr.HCl monomer, a preparation method thereof, a method for preparing an N-heterocyclic carbene functionalized organic polymer (PS-IPr-x) by using the olefin functionalized IPr.HCl monomer, and application of the N-heterocyclic carbene functionalized organic polymer as a heterogeneous catalyst for catalyzing reduction N-formylation of carbon dioxide and amine. A heterogeneous catalyst is prepared by using cheap and easily available DVB as a polymerization cross-linking agent through an AIBN-initiated olefin polymerization method, and has the advantages of low preparation cost and simple preparation method. Meanwhile, the catalytic activity of the catalyst is obviously higher than that of reported catalysts, and the catalyst has a wide practical application prospect.

Copper-Catalyzed Cascade N-Dealkylation/N-Methyl Oxidation of Aromatic Amines by Using TEMPO and Oxygen as Oxidants

Li, Dianjun,Wang, Shihaozhi,Yang, Jiale,Yang, Jinhui

supporting information, p. 6768 - 6772 (2021/12/31)

A novel tandem N-dealkylation and N-methyl aerobic oxidation of tertiary aromatic amines to N-arylformamides using copper and TEMPO has been developed. This methodology suggested an alternative synthetic route from N-methylarylamines to N-arylformamides.

Borane-Trimethylamine Complex as a Reducing Agent for Selective Methylation and Formylation of Amines with CO2

Zhang, Yanmeng,Zhang, He,Gao, Ke

supporting information, p. 8282 - 8286 (2021/10/25)

We report herein that a borane-trimethylamine complex worked as an efficient reducing agent for the selective methylation and formylation of amines with 1 atm CO2 under metal-free conditions. 6-Amino-2-picoline serves as a highly efficient catalyst for the methylation of various secondary amines, whereas in its absence, the formylation of primary and secondary amines was achieved in high yield with high chemoselectivity. Mechanistic studies suggest that the 6-amino-2-picoline-borane catalytic system operates like an intramolecular frustrated Lewis pair to activate CO2.

Copper promoted aerobic oxidative c(sp3)-c(sp3) bond cleavage of n-(2-(pyridin-2-yl)-ethyl)anilines

Yu, Yang,Zhang, Yong,Sun, Chengyu,Shi, Lei,Wang, Wei,Li, Hao

, p. 2725 - 2732 (2020/03/11)

A strategy of aerobic oxidative C(sp3)-C(sp3) bond cleavage of N-ethylaniline derivatives bearing azaarenes for the synthesis of N-aryl formamides has been developed. This approach was carried out smoothly with the CuI/TEMPO/air system to give N-aryl formamides in yields of 50-90%. With this methodology, a mutagenically active compound was constructed in 90% yield. Moreover, the reaction also provided a one-pot synthetic tool for accessing a promoter of hematopoietic stem cells by difunctionalization in 61% yield.

Tetracoordinate borates as catalysts for reductive formylation of amines with carbon dioxide

Du, Chen-Xia,Huang, Zijun,Jiang, Xiaolin,Li, Yuehui,Makha, Mohamed,Wang, Fang,Zhao, Dongmei

supporting information, p. 5317 - 5324 (2020/09/17)

We report sodium trihydroxyaryl borates as the first robust tetracoordinate organoboron catalysts for reductive functionalization of CO2. These catalysts, easily synthesized from condensing boronic acids with metal hydroxides, activate main group element-hydrogen (E-H) bonds efficiently. In contrast to BX3 type boranes, boronic acids and metal-BAr4 salts, under transition metal-free conditions, sodium trihydroxyaryl borates exhibit high reactivity of reductive N-formylation toward a variety of amines (106 examples), including those with functional groups such as ester, olefin, hydroxyl, cyano, nitro, halogen, MeS-, ether groups, etc. The over-performance to catalyze formylation of challenging pyridyl amines affords a promising alternative method to the use of traditional formylation reagents. Mechanistic investigation supports electrostatic interactions as the key for Si/B-H activation, enabling alkali metal borates as versatile catalysts for hydroborylation, hydrosilylation, and reductive formylation/methylation of CO2.

Potassium tert-Butoxide Prompted Highly Efficient Transamidation and Its Coordination Radical Mechanism

Tan, Zhiyong,Li, Zhenhua,Ma, Yao,Qin, Jinjing,Yu, Chuanming

, p. 4538 - 4545 (2019/07/18)

A simple and highly efficient protocol was developed for the transamidation of N,N-disubstituted amides with primary amines in the presence of tBuOK, affording desired products in good to excellent yields. This reaction proceeded under nitrogen atmosphere and featured extensive substrate tolerance. Experimental investigation suggested that a coordination radical process enhanced this transformation.

Compound comprising urea and thiourea structures and synthesis method and application of compound

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Paragraph 0092-0093, (2019/08/07)

The invention relates to an organic small molecular compound comprising urea and thiourea structures in a formula I and a synthesis method and application of the compound. According to in-vitro antitumor activity tests, the compound has high antitumor act

Catalyst-Free Transamidation of Aromatic Amines with Formamide Derivatives and Tertiary Amides with Aliphatic Amines

Yin, Jiawen,Zhang, Jingyu,Cai, Changqun,Deng, Guo-Jun,Gong, Hang

supporting information, p. 387 - 392 (2019/01/11)

A simple catalyst- and promoter-free protocol has been developed for the transamidation of weakly nucleophilic aromatic amines with formamide derivatives and low-reactivity tertiary amides with aliphatic amines. This strategy is advantageous because no catalyst or promoters are needed, no additives are required, separation and purification is easy, and the reaction is scalable. Significantly, this strategy was further applied to synthesize several pharmaceutical molecules on a gram scale, and excellent yields were achieved.

Selective formylation or methylation of amines using carbon dioxide catalysed by a rhodium perimidine-based NHC complex

Lam, Raphael H.,McQueen, Caitlin M. A.,Pernik, Indrek,McBurney, Roy T.,Hill, Anthony F.,Messerle, Barbara A.

supporting information, p. 538 - 549 (2019/02/14)

Carbon dioxide can play a vital role as a sustainable feedstock for chemical synthesis. To be viable, the employed protocol should be as mild as possible. Herein we report a methodology to incorporate CO2 into primary, secondary, aromatic or alkyl amines catalysed by a Rh(i) complex bearing a perimidine-based NHC/phosphine pincer ligand. The periminide-based ligand belongs to a class of 6-membered NHC ligand accessed through chelate-assisted double C-H activation. N-Formylation and -methylation of amines were performed using a balloon of CO2, and phenylsilane as the reducing agent. Product selectivity between formylated and methylated products was tuned by changing the solvent, reaction temperature and the quantity of phenylsilane used. Medium to excellent conversions, as well as tolerance to a range of functional groups, were achieved. Stoichiometric reactions with reactants employed in catalysis and time course studies suggested that formylation and methylation reactions of interest begin with hydrosilylation of CO2 followed by reaction with amine substrates.

A fragrant amines for the preparation of compounds (by machine translation)

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Paragraph 0062-0065; 0067, (2018/11/10)

The invention discloses a fragrant amines preparation method of the compound, the method in a certain amount of supported cobalt-containing catalyst and a certain amount of fragrant nitryl compounds added in the reactor, then adding ammonium formate, and tetrahydrofuran mixed solvent with water, under stirring, the reaction temperature is 80 - 200 °C, reaction 0.5 - 24 h, to get the corresponding sweet-smelling amines compound. According to the preparation method of this invention the use of inexpensive, renewable bamboo shoots as raw materials for preparing carbon precursor, environmental protection, simple and easy to obtain, without adding nitrogen source material; at the same time in order to triphenylphosphine as the phosphorus source, low price. The substituted ammonium hydrogen as the reducing agent, the operation is simple, mild reaction conditions, in particular to an easily reducible functional group containing fragrant nitryl compounds for chemical selectivity can be controlled more easily. (by machine translation)

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