2-Methyl-2-propanyl [(1S)-1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)propyl]carbamate | CAS No. 870281-85-9

2-Methyl-2-propanyl [(1S)-1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)propyl]carbamate

Basic Information

CAS Number

870281-85-9

Molecular Formula

C22H24FN3O3

Molecular Weight

397.45 g/mol

AD

Basic Physical Properties

O=C(OC(C)(C)C)N[C@H](C(N1C2=CC=CC=C2)=NC3=C(C(F)=CC=C3)C1=O)CC

InChI

InChI=1S/C22H24FN3O3/c1-5-16(25-21(28)29-22(2,3)4)19-24-17-13-9-12-15(23)18(17)20(27)26(19)14-10-7-6-8-11-14/h6-13,16H,5H2,1-4H3,(H,25,28)/t16-/m0/s1

InChIKey

QFOZQYXYXFTQNB-INIZCTEOSA-N

LogP

4.500600000000004

Topological Polar Surface Area

73.22 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

640

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • (S)-tert-butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbaMate
  • (S)-[1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydro-quinazolin-2-yl)-propyl]-carbamic acid tert-butyl ester
  • (S)-tert-butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbaMate(CAL101 N-2 step)
  • CAL101 Intermediate1
  • CAL-101 N-2
  • (S)-tert-butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbaMate(CAL101 )
  • Carbamic acid,[(1S)-1-(5-fluoro-3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)propyl]-,1,1-dimethylethyl ester
  • (S)-tert-butyl 1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propylcarbamate
  • AK162353
  • Tube702
  • QFOZQYXYXFTQNB-INIZCTEOSA-N
  • [(1S)-1-(5-Fluoro-3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)propyl]carbamic acid 1,1-di

MDL Number

MFCD28134524

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [(1S)-1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)propyl]carbamate (CAS: 870281-85-9)?

This compound is a crystalline solid with a molecular weight of approximately 511.53 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and dichloromethane. Chemically, it is reactive towards nucleophiles and displays good stability under acidic conditions. It exhibits moderate hydrolytic stability in neutral and basic media.

How is 2-Methyl-2-propanyl [(1S)-1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)propyl]carbamate (CAS: 870281-85-9) typically synthesized?

This compound is typically synthesized via a multistep process involving amidation and cyclization reactions. The key steps include the formation of an intermediate amide through reaction of a carboxylic acid with a primary amine, followed by the cyclization of the intermediate to form the quinazoline ring. The synthesis is achieved with high selectivity and moderate to good yield.

What industries use 2-Methyl-2-propanyl [(1S)-1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)propyl]carbamate (CAS: 870281-85-9)?

This compound is primarily used in the pharmaceutical industry for the development of new drug candidates. It may also find applications in the production of chemical sensors and semiconductors due to its specific reactivity and molecular structure.

What precautions should be taken when handling 2-Methyl-2-propanyl [(1S)-1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)propyl]carbamate (CAS: 870281-85-9)?

Proper personal protective equipment (PPE) is essential when handling this compound. Wear gloves, goggles, and a laboratory coat. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, clean up with care using appropriate absorbent materials and ensure proper disposal. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...