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Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate is a pyrimidine derivative chemical compound characterized by a molecular formula of C8H6ClF3N2O2. It features a chloro substitution at the 4-position and a trifluoromethyl group at the 2-position, with the ethyl ester of the carboxylic acid group attached to the 5-position of the pyrimidine ring. Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate is recognized for its potential in the pharmaceutical industry as a building block for synthesizing a variety of pharmaceutical products and for its studied biological and pharmacological activities, such as antiviral and anticancer properties.

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  • 720-01-4 Structure
  • Basic information

    1. Product Name: Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate
    2. Synonyms: 4-Chloro-2-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester;Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate 97%;Ethyl4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate97%;4-chloro-6-ethyl-2-(trifluoroMethyl)pyriMidine-5-carboxylate;4-Chloro-5-(ethoxycarbonyl)-2-(trifluoromethyl)pyrimidine, 4-Chloro-5-(ethoxycarbonyl)-2-(trifluoromethyl)-1,3-diazine;Ethyl 4-chloro-2-(trifluoromethyl)-5-pyrimidinecarboxylate;ETHYL 4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE;BUTTPARK 43\57-70
    3. CAS NO:720-01-4
    4. Molecular Formula: C8H6ClF3N2O2
    5. Molecular Weight: 254.59
    6. EINECS: 1592732-453-0
    7. Product Categories: Esters;Pyrazines, Pyrimidines & Pyridazines;Pyrazines, Pyrimidines & Pyridazines;Fluorine series
    8. Mol File: 720-01-4.mol
  • Chemical Properties

    1. Melting Point: 36 °C
    2. Boiling Point: 95 °C
    3. Flash Point: 93.292 °C
    4. Appearance: /
    5. Density: 1.449 g/cm3
    6. Vapor Pressure: 0.065mmHg at 25°C
    7. Refractive Index: 1.466
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: -4.91±0.29(Predicted)
    11. CAS DataBase Reference: Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate(CAS DataBase Reference)
    12. NIST Chemistry Reference: Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate(720-01-4)
    13. EPA Substance Registry System: Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate(720-01-4)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39-37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 720-01-4(Hazardous Substances Data)

720-01-4 Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate is utilized as a key building block for the synthesis of various pharmaceutical products. Its unique structure and functional groups make it a valuable component in the development of new drugs with diverse therapeutic applications.
Used in Drug Discovery and Development:
Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate is employed in drug discovery and development processes due to its potential biological and pharmacological activities. Its antiviral and anticancer properties are of particular interest, as they may contribute to the creation of novel treatments for viral infections and cancer.
Used in Antiviral Applications:
Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate is studied for its antiviral properties, making it a candidate for the development of antiviral medications. Its specific chemical structure may offer advantages in targeting and inhibiting viral replication or other viral processes.
Used in Anticancer Applications:
Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate is also being investigated for its potential anticancer properties, suggesting that it could be a component in the development of new anticancer drugs. Its ability to interact with biological targets related to cancer cell growth and proliferation may contribute to its effectiveness in this area.

Check Digit Verification of cas no

The CAS Registry Mumber 720-01-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,2 and 0 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 720-01:
(5*7)+(4*2)+(3*0)+(2*0)+(1*1)=44
44 % 10 = 4
So 720-01-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H6ClF3N2O2/c1-2-16-6(15)4-3-13-7(8(10,11)12)14-5(4)9/h3H,2H2,1H3

720-01-4SDS

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 Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate

1.2 Other means of identification

Product number -
Other names Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate

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:720-01-4 SDS

720-01-4Relevant articles and documents

BENZAMIDE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING INFLAMMATORY DISEASE CONTAINING SAME AS ACTIVE INGREDIENT

-

, (2020/11/30)

The present invention relates to a benzamide derivative compound, a method for preparing the same, and a pharmaceutical composition for treating or preventing an inflammatory disease containing the same as an active ingredient. The benzamide derivative compound according to the present invention inhibits the expression of PDE4 and regulates the expression of an inflammatory disease-related substance such as IL-4 (interleukin-4), IL-5 (interleukin-4), IFN-γ (interferon-γ), IL-17 (interluekin-17), IgE (immunoglobulin E), and TNF-α (tumor necrosis factor-α), and thus may be utilized as a pharmaceutical composition for treating or preventing an inflammatory disease.

Design, synthesis, and biological evaluation of novel catecholopyrimidine based PDE4 inhibitor for the treatment of atopic dermatitis

Purushothaman, Baskaran,Arumugam, Parthasarathy,Kulsi, Goutam,Song, Joon Myong

, p. 673 - 690 (2018/01/26)

Selective inhibition of phosphodiesterase (PDE) 4B favorably suppresses the synthesis of inflammatory cytokines and subsequently arrest the development of atopic dermatitis via modulating the intracellular cAMP levels. Considering the side effects of corticosteroids, selective PDE4 inhibition could constitute an effective alternative therapy for the treatment of atopic dermatitis (AD). In this study, a series of novel catechol based compounds bearing pyrimidine as the core have been synthesized and screened for the PDE4 inhibitory properties. The PDE4 selectivity of the active compounds over other PDEs has been investigated. Compound 23 bearing pyrimidine core functionalized with catechol, pyridine and trifluoromethyl groups can effectively inhibit the PDE4B with IC50 value in nanomolar range (IC50 = 15 ± 0.4 nM). Compound 23 exhibited seven fold higher selectivity towards PDE4B over PDE4D. Molecular Docking study confirmed its stronger affinity towards catalytic domain of PDE4B. In-vivo analysis confirmed that compound 23 effectively alleviated the symptoms of atopic dermatitis in DNCB–treated Balb/c mice by suppressing the synthesis of inflammatory mediators such as TNF-α and Ig-E. Taken together, this study suggested that compound 23 could be an effective PDE4 inhibitor for the potential treatment of AD.

Pyrimidinone compounds

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Page/Page column 23, (2008/06/13)

Pyrimidinone compounds of formula (I) are inhibitors of the enzyme Lp-PLA2 and of use in therapy, in particular for treating atherosclerosis.

Potent, orally active inhibitors of lipoprotein-associated phospholipase A2: 1-(biphenylmethylamidoalkyl)-pyrimidones

Boyd, Helen F.,Fell, Stephen C.M.,Hickey, Deirdre M.B.,Ife, Robert J.,Leach, Colin A.,Macphee, Colin H.,Milliner, Kevin J.,Pinto, Ivan L.,Rawlings,Smith, Stephen A.,Stansfield, Ian G.,Stanway, Steven J.,Theobald, Colin J.,Whittaker, Caroline M.

, p. 51 - 55 (2007/10/03)

A series of 1-(biphenylmethylamidoalkyl)-pyrimidones has been designed as nanomolar inhibitors of recombinant lipoprotein-associated phospholipase A2 with high potency in whole human plasma. 5-(Pyrazolylmethyl) derivative 16 and 5-(methoxypyrimidinylmethyl) derivative 27 demonstrated excellent pharmacodynamic profiles which correlated well with their pharmacokinetic effects.

Novel inhibitors of AP-1 and NF-κB mediated gene expression: Structure-activity relationship studies of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carb oxylate

Palanki, Moorthy S.S.,Erdman, Paul E.,Manning, Anthony M.,Ow, Arnold,Ransone, Lynn J.,Spooner, Cheryl,Suto, Carla,Suto, Mark

, p. 1645 - 1648 (2007/10/03)

In an effort to identify novel inhibitors of AP-1 and NF-κB mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carb oxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (11) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

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