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2-Trifluoromethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is a chemical compound characterized by a quinazolinone backbone and a trifluoromethyl group. 2-Trifluoromethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one holds promise in medicinal chemistry, particularly for the development of pharmaceutical drugs. The trifluoromethyl group's presence can augment the compound's pharmacological properties, such as enhancing lipophilicity and metabolic stability, which are crucial for drug efficacy and safety. The potential biological activity of this chemical entity makes it an appealing target for drug discovery and development, garnering interest among researchers and drug developers in the medicinal chemistry and drug discovery fields.

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  • 147750-20-7 Structure
  • Basic information

    1. Product Name: 2-Trifluoromethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
    2. Synonyms: 2-Trifluoromethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one;2-TrifluoroMethyl-5,6,7,8-tetrahydro-quinazolin-4-ol
    3. CAS NO:147750-20-7
    4. Molecular Formula: C9H9F3N2O
    5. Molecular Weight: 218
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 147750-20-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 240.4±50.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.54±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: -3.81±0.20(Predicted)
    10. CAS DataBase Reference: 2-Trifluoromethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-Trifluoromethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one(147750-20-7)
    12. EPA Substance Registry System: 2-Trifluoromethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one(147750-20-7)
  • 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: 147750-20-7(Hazardous Substances Data)

147750-20-7 Usage

Uses

Used in Pharmaceutical Drug Development:
2-Trifluoromethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is utilized as a key component in the development of pharmaceutical drugs due to its enhanced pharmacological properties. The trifluoromethyl group contributes to increased lipophilicity, which can improve the compound's absorption, distribution, metabolism, and excretion (ADME) profile, making it more suitable for oral administration and potentially leading to better bioavailability.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 2-Trifluoromethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one serves as a valuable research tool for exploring the structure-activity relationships (SAR) of quinazolinone-based compounds. Its unique structure allows researchers to investigate the effects of the trifluoromethyl group on the compound's biological activity, selectivity, and potency, which can guide the design of more effective and safer drugs.
Used in Drug Discovery:
2-Trifluoromethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is employed as a starting point or a scaffold in drug discovery efforts. Its potential biological activity and the advantageous properties conferred by the trifluoromethyl group make it an attractive candidate for further optimization and development into novel therapeutic agents targeting various diseases and conditions.
Used in Drug Design and Optimization:
This chemical compound is used as a template in drug design and optimization processes. By modifying the structure of 2-Trifluoromethyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one, chemists can create a series of analogs with different functional groups, aiming to fine-tune the compound's pharmacological properties, such as potency, selectivity, and safety profile, to achieve the desired therapeutic effects.

Check Digit Verification of cas no

The CAS Registry Mumber 147750-20-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,4,7,7,5 and 0 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 147750-20:
(8*1)+(7*4)+(6*7)+(5*7)+(4*5)+(3*0)+(2*2)+(1*0)=137
137 % 10 = 7
So 147750-20-7 is a valid CAS Registry Number.

147750-20-7SDS

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-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-4-one

1.2 Other means of identification

Product number -
Other names 2-Trifluoromethyl-5,6,7,8-tetrahydro-quinazolin-4-ol

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:147750-20-7 SDS

147750-20-7Downstream Products

147750-20-7Relevant articles and documents

SUBSTITUTED BENZIMIDAZOLES AND QUINAZOLINES AS ANTIHYPERTENSIVES

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, (2008/06/13)

There are disclosed compounds of the formula STR1 wherein R 1 is STR2 R 2 is STR3 wherein X is STR4 wherein R. sup.5 is hydrogen, alkyl of 1-6 carbon atoms, benzyl, triphenylmethyl, or Sn(alkyl of 1-6 carbon atoms) 3 ;n is 1 to 3;Y is STR5 wherein R 3 is hydrogen, perfluoro alkyl of 1-6 carbon atoms, trifluoromethylalkyl of 1-6 carbon atoms, or alkyl of 1-6 carbon atoms; and R 4 is hydrogen or alkyl of 1-6 carbon atoms; with the proviso that when R 1 is STR6 then R. sup.2 cannot be STR7 wherein X is as defined above; and the pharmaceutically acceptable salts thereof, which by virtue of their ability to antagonize angiotensin II are useful for the treatment of hypertension and congestive heart-failure.

Pyrimidocycloalkanes as a II antagonists

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, (2008/06/13)

There are disclosed compounds of the general formula I: STR1 wherein X is H, NR12 R13, OR14, CN, F, Cl, I, Br, perfluoroalkyl, alkyl, alkoxy, alkyl-OH, alkoxyalkyl, --(CH2)n CO2 R14/s

Pyrimidinyl arylalkyl ethers with antihypertensive activity

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, (2008/06/13)

The compounds of this invention having Angiotensin II receptor binding properties and thus useful in the treatment of hypertension are of the formula: STR1 wherein: X 1 =H, lower alkyl, phenyl or naphthyl;X 2 is X 1, perfluoroalkyl or halogen;X 1 and X 2

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