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CAS

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37836-80-9

4(3H)-Pyrimidinone, 2-(1-methylethoxy)-6-(trifluoromethyl)is a pyrimidinone derivative with the molecular formula C11H11F3N2O2. It features a trifluoromethyl group, known for its electron-withdrawing properties, and a methylethoxy group that may enhance its solubility and bioavailability. This chemical compound has potential applications in the pharmaceutical industry due to its ability to interact with biological targets.

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  • 37836-80-9 Structure

  • Basic information

    1. Product Name: 4(3H)-Pyrimidinone, 2-(1-methylethoxy)-6-(trifluoromethyl)-
    2. Synonyms: 4(3H)-Pyrimidinone, 2-(1-methylethoxy)-6-(trifluoromethyl)-;2-isopropoxy-6-trifluoroMethyl-3H-pyriMidin-4-one
    3. CAS NO:37836-80-9
    4. Molecular Formula: C8H9F3N2O2
    5. Molecular Weight: 222
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 37836-80-9.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 191.8±50.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.40±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 6.17±0.50(Predicted)
    10. CAS DataBase Reference: 4(3H)-Pyrimidinone, 2-(1-methylethoxy)-6-(trifluoromethyl)-(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4(3H)-Pyrimidinone, 2-(1-methylethoxy)-6-(trifluoromethyl)-(37836-80-9)
    12. EPA Substance Registry System: 4(3H)-Pyrimidinone, 2-(1-methylethoxy)-6-(trifluoromethyl)-(37836-80-9)

  • 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: 37836-80-9(Hazardous Substances Data)

37836-80-9 Usage

Uses

Used in Pharmaceutical Industry:
4(3H)-Pyrimidinone, 2-(1-methylethoxy)-6-(trifluoromethyl)is used as a building block in the synthesis of various drugs for its potential to interact with biological targets. Its unique structure, including the electron-withdrawing trifluoromethyl group and the solubility-enhancing methylethoxy group, makes it a promising candidate for the development of new pharmaceutical agents.
Additionally, it may serve as a pharmacophore in the design of novel pharmaceutical compounds, contributing to the discovery of innovative treatments and therapies. The presence of the trifluoromethyl group can influence the compound's reactivity, selectivity, and lipophilicity, which are important factors in drug development.

Check Digit Verification of cas no

The CAS Registry Mumber 37836-80-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,7,8,3 and 6 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 37836-80:
(7*3)+(6*7)+(5*8)+(4*3)+(3*6)+(2*8)+(1*0)=149
149 % 10 = 9
So 37836-80-9 is a valid CAS Registry Number.

37836-80-9SDS

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-propan-2-yloxy-6-(trifluoromethyl)-1H-pyrimidin-4-one

1.2 Other means of identification

Product number -
Other names 4(3H)-Pyrimidinone,2-(1-methylethoxy)-6-(trifluoromethyl)

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:37836-80-9 SDS

37836-80-9Relevant articles and documents

2-?(2-Alkoxy-6-trifluoromethylpyrimidin-4-yl)oxymethylene!phenylacetic acid derivatives, their preparation and intermediate therefor, and use thereof

-

, (2008/06/13)

2-?(2-Alkoxy-6-trifluoromethylpyrimidin-4-yl)oxymethylene!-phenylacetic acid derivatives of the formula I STR1 where the index and the substituents have the following meanings: U is CH or N; V is O or NH; R is alkyl; R1 is cyano, halogen, alkyl

Process for the preparation of a 2-alkoxy-6-(trifluoromethyl)pyrimidin-4-ol

-

, (2008/06/13)

A novel process for the preparation of a 2-alkoxy-6-(trifluoromethyl)pyrimidin-4-ol of the general formula: STR1 in which R is a C1 -C8 -alkyl group. In the process, cyanamide is reacted with the appropriate alcohol in the presence of hydrogen chloride to give the corresponding alkoxyisourea hydrochloride, which is then converted with ethyl trifluoroacetoacetate in the presence of an alkali metal hydroxide, which is in water, to the end product of the formula I.

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