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2,2,2-TRIFLUORO-N-PHENYLACETAMIDE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 404-24-0 Structure
  • Basic information

    1. Product Name: 2,2,2-TRIFLUORO-N-PHENYLACETAMIDE
    2. Synonyms: 2,2,2-Trifluoroacetanilide;Acetanilide, 2,2,2-trifluoro-;alpha,alpha,alpha-Trifluoroacetanilide;N-TRIFLUOROACETYLANILINE;TRIFLUOROACETANILIDE;2,2,2-TRIFLUORO-N-PHENYLACETAMIDE;Trifluroracetanilide;N-Phenyl-2,2,2-trifluoroacetamide
    3. CAS NO:404-24-0
    4. Molecular Formula: C8H6F3NO
    5. Molecular Weight: 189.13
    6. EINECS: 206-965-6
    7. Product Categories: N/A
    8. Mol File: 404-24-0.mol
  • Chemical Properties

    1. Melting Point: 86-90 °C
    2. Boiling Point: 243.5°Cat760mmHg
    3. Flash Point: 101.1°C
    4. Appearance: /
    5. Density: 1.3305 (estimate)
    6. Vapor Pressure: 0.032mmHg at 25°C
    7. Refractive Index: 1.501
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 10.05±0.70(Predicted)
    11. CAS DataBase Reference: 2,2,2-TRIFLUORO-N-PHENYLACETAMIDE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2,2,2-TRIFLUORO-N-PHENYLACETAMIDE(404-24-0)
    13. EPA Substance Registry System: 2,2,2-TRIFLUORO-N-PHENYLACETAMIDE(404-24-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: 24/25-22
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 404-24-0(Hazardous Substances Data)

404-24-0 Usage

Chemical Properties

White or light brown crystalline powder

Synthesis Reference(s)

Canadian Journal of Chemistry, 43, p. 541, 1965 DOI: 10.1139/v65-071

Check Digit Verification of cas no

The CAS Registry Mumber 404-24-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,0 and 4 respectively; the second part has 2 digits, 2 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 404-24:
(5*4)+(4*0)+(3*4)+(2*2)+(1*4)=40
40 % 10 = 0
So 404-24-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H6F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13)

404-24-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2,2-TRIFLUORO-N-PHENYLACETAMIDE

1.2 Other means of identification

Product number -
Other names F0722-1368

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:404-24-0 SDS

404-24-0Relevant articles and documents

Water catalyzed hydrolysis of p-nitrotrifluoroacetanilide and trifluoroacetanilide. Carbonyl 18O-exchange does not accompany the water reaction

Slebocka-Tilk,Rescorla, Christopher G.,Shirin, Salma,Bennet, Andrew J.,Brown

, p. 10969 - 10975 (1997)

The water catalyzed hydrolyses of p-nitrotrifluoroacetanilide (3) and trifluoroacetanilide (8) were studied at various pH's and temperatures. The activation parameters for the water reactions of 3 and 8 are: ΔH = 14.4 ± 0.6 and 11.7 ± 0.3 kcal/mol and ΔS = -36.1 ± 1.8 and -52.3 ± 0.7 calmol·K, respectively. These are consistent with reactions that involve considerable restriction of degrees of freedom of the solvent/substrate in the transition state. A proton inventory analysis of the rate constants for hydrolysis of 3 in media of different mole fraction D2O indicates the process involves two or more protons in flight or undergoing loosening of their bonding in the transition state. 18O-Labeled amides were subjected to the hydrolytic conditions for various times up to 3 half-times of hydrolysis and recovered. Mass analysis showed that the 180 content in the recovered amide did not change during the course of the reaction. All the data support a process where the rate-limiting step for the water reaction involves a concerted or nearly concerted formation of a diol which undergoes subsequent C-N cleavage in preference to OH expulsion.

Removal of some common glycosylation by-products during reaction work-up

Heuckendorff, Mads,Jensen, Henrik H.

, p. 50 - 56 (2017)

With the aim of improving the general glycosylation protocol to facilitate easy product isolation it was shown that amide by-products from glycosylation with trichloroacetimidate and N-phenyl trifluoroacetimidate donors could be removed during reaction work-up by washing with a basic aqueous solution. Excess glycosyl acceptor or lactol originating from glycosyl donor hydrolysis could equally be removed from the reaction mixture by derivatization with a basic tag and washing with an acidic solution during reaction work-up.

The reaction of 2-arylazo-1-vinylpyrroles with trifluoroacetic anhydride: Unexpected formation of N-aryl-2,2,2-trifluoroacetamides and conjugated polymers

Schmidt, Elena Yu.,Ushakov, Igor A.,Zorina, Nadezhda V.,Mikhaleva, Albina I.,Trofimov, Boris A.

, p. 36 - 37 (2011)

2-Arylazo-1-vinylpyrroles under the action of trifluoroacetic anhydride (CH2Cl2 or benzene, -5-0 °C, 1 h) form N-aryl-2,2,2-trifluoroacetamides along with conjugated (electroconducting and paramagnetic) polymers.

Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates

Chattopadhyay, Buddhadeb,Hassan, Mirja Md Mahamudul,Hoque, Md Emdadul

supporting information, p. 5022 - 5037 (2021/05/04)

Here we describe the discovery of a new class of C-H borylation catalysts and their use for regioselective C-H borylation of aromatic, heteroaromatic, and aliphatic systems. The new catalysts have Ir-C(thienyl) or Ir-C(furyl) anionic ligands instead of the diamine-type neutral chelating ligands used in the standard C-H borylation conditions. It is reported that the employment of these newly discovered catalysts show excellent reactivity and ortho-selectivity for diverse classes of aromatic substrates with high isolated yields. Moreover, the catalysts proved to be efficient for a wide number of aliphatic substrates for selective C(sp3)-H bond borylations. Heterocyclic molecules are selectively borylated using the inherently elevated reactivity of the C-H bonds. A number of late-stage C-H functionalization have been described using the same catalysts. Furthermore, we show that one of the catalysts could be used even in open air for the C(sp2)-H and C(sp3)-H borylations enabling the method more general. Preliminary mechanistic studies suggest that the active catalytic intermediate is the Ir(bis)boryl complex, and the attached ligand acts as bidentate ligand. Collectively, this study underlines the discovery of new class of C-H borylation catalysts that should find wide application in the context of C-H functionalization chemistry.

Novel hybrid conjugates with dual estrogen receptor α degradation and histone deacetylase inhibitory activities for breast cancer therapy

Zhao, Chenxi,Tang, Chu,Li, Changhao,Ning, Wentao,Hu, Zhiye,Xin, Lilan,Zhou, Hai-Bing,Huang, Jian

, (2021/05/10)

Hormone therapy targeting estrogen receptors is widely used clinically for the treatment of breast cancer, such as tamoxifen, but most of them are partial agonists, which can cause serious side effects after long-term use. The use of selective estrogen receptor down-regulators (SERDs) may be an effective alternative to breast cancer therapy by directly degrading ERα protein to shut down ERα signaling. However, the solely clinically used SERD fulvestrant, is low orally bioavailable and requires intravenous injection, which severely limits its clinical application. On the other hand, double- or multi-target conjugates, which are able to synergize antitumor activity by different pathways, thus may enhance therapeutic effect in comparison with single targeted therapy. In this study, we designed and synthesized a series of novel dual-functional conjugates targeting both ERα degradation and histone deacetylase inhibiton by combining a privileged SERD skeleton 7-oxabicyclo[2.2.1]heptane sulfonamide (OBHSA) with a histone deacetylase inhibitor side chain. We found that substituents on both the sulfonamide nitrogen and phenyl group of OBHSA unit had significant effect on biological activities. Among them, conjugate 16i with N-methyl and naphthyl groups exhibited potent antiproliferative activity against MCF-7 cells, and excellent ERα degradation activity and HDACs inhibitory ability. A further molecular docking study indicated the interaction patterns of these conjugates with ERα, which may provide guidance to design novel SERDs or PROTAC-like SERDs for breast cancer therapy.

Meta Selective C-H Borylation of Sterically Biased and Unbiased Substrates Directed by Electrostatic Interaction

Chaturvedi, Jagriti,Haldar, Chabush,Bisht, Ranjana,Pandey, Gajanan,Chattopadhyay, Buddhadeb

supporting information, p. 7604 - 7611 (2021/05/26)

An electrostatically directed meta borylation of sterically biased and unbiased substrates is described. The borylation follows an electrostatic interaction between the partially positive and negative charges between the ligand and substrate. With this strategy, it has been demonstrated that a wide number of challenging substrates, especially 4-substituted substrates, can selectively be borylated at the meta position. Moreover, unsubstituted substrates also displayed excellent meta selectivity. The reaction employs a bench-stable ligand and proceeds at a milder temperature, precluding the need to synthesize a bulky and sophisticated ligand/template.

Oxygen bridge bicyclo - [2.2.1] - heptene compounds containing different covalent bullet structures, and preparation and application thereof

-

Paragraph 0139-0141, (2021/11/03)

The invention discloses an oxygen bridge bicyclo - [2.2.1] - heptene compound containing different covalent popping structures as well as preparation and application thereof, and belongs to the technical field of targeted drugs. As shown in general formula (I) or general formula (II), furan derivatives and vinylsulfonamide derivatives or vinylsulfonate derivatives containing different covalent popping heads are prepared by reacting Diels-Alder to obtain a compound of the present invention. The compound can be used for preparing anti-breast cancer drugs. A medicament for the degradation of estrogen receptors, a medicament for a mutant estrogen receptor. Compared with the existing anti-breast cancer drug tamoxifen, MCF-7 cells have stronger inhibitory activity and have the ability to down-regulate the estrogen receptor level, and the activity shown for the mutant estrogen receptor is 4 - times of 5-10 hydroxytamoxifen.

Electrochemical approach to trifluoroacetamide synthesis from 1,1,1-trichloro-2,2,2-trifluoroethane (CFC-113a) catalyzed by B12complex

Moniruzzaman, Mohammad,Yano, Yoshio,Ono, Toshikazu,Hisaeda, Yoshio,Shimakoshi, Hisashi

, (2021/03/09)

One-pot synthetic approach to produce trifluoroacetamide has been developed using an electrochemical method with the B12 complex as a catalyst under mild conditions, in open air at room temperature. Thirty examples of trifluoroacetamide were synthesized from 1,1,1-trichloro-2,2,2-trifluoroethane (CFC-113a) in moderate to good yields. This user-friendly strategy is compatible with a broad range of trifluoroacetamide syntheses.

Hypervalent Iodine Reagent-Promoted Hofmann-Type Rearrangement/Carboxylation of Primary Amides

Wang, Xia,Yang, Peng,Hu, Bo,Zhang, Qian,Li, Dong

, p. 2820 - 2826 (2021/02/01)

A novel transformation of primary amides to secondary amides promoted by hypervalent iodine reagents was developed. The hypervalent iodine reagent-mediated Hofmann-type rearrangement generated an isocyanate intermediate, which was subsequently trapped by an in situ generated carboxylic acid from the hypervalent iodine reagent to provide the corresponding secondary amides. This method provided a facile and efficient route for the synthesis of secondary amides from primary amides and also revealed novel reactivities of hypervalent iodine reagents.

Copper-catalyzed three component C[sbnd]S/C[sbnd]N coupling for the synthesis of trifluorothioacetamides

Hu, Bo-Lun,Song, Yi-Kang,Yao, Zengwen,Zhang, Guoqiang,Zhang, Xing-Guo

, (2020/10/06)

A copper-catalyzed three component C[sbnd]S/C[sbnd]N coupling reaction of imines with sulfur and CFC-113a was developed. The reaction involves amination and C[dbnd]S double bond formation of CFC-113a, leading to biologically important trifluorothioacetamides. The method features efficient construction of trifluorothioacetyl moiety from cheap sulfur and CFC-113a, and safe disposal for environmentally persistent Freon

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