Difluoro Atorvastatin Acetonide tert-Butyl Ester | CAS No. 693793-87-2

Difluoro Atorvastatin Acetonide tert-Butyl Ester

Basic Information

CAS Number

693793-87-2

Molecular Formula

C40H46F2N2O5

Molecular Weight

672.81 g/mol

AD

Basic Physical Properties

Melting Point

NA

Boiling Point

677.4±55.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Flash Point

363.5±31.5 °C

Vapor Pressure

0.0±2.1 mmHg at 25°C

CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C40H46F2N2O5/c1-25(2)36-35(38(46)43-30-11-9-8-10-12-30)34(26-13-17-28(41)18-14-26)37(27-15-19-29(42)20-16-27)44(36)22-21-31-23-32(48-40(6,7)47-31)24-33(45)49-39(3,4)5/h8-20,25,31-32H,21-24H2,1-7H3,(H,43,46)

InChIKey

FXOZEZIWLMWZMX-UHFFFAOYSA-N

LogP

9.5081

Topological Polar Surface Area

78.78999999999999 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

1080

Synonyms & References

English

  • Difluoro Atorvastatin Acetonide tert-Butyl Ester
  • Tert-butyl 2-[(4R,6R)-6-[2-[2,3-bis(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]eth
  • tert-butyl 2-((4R,6R)-6-(2-(2,3-bis(4-fluorophenyl)-5-isopropyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

FAQ

What are the physical and chemical properties of Difluoro Atorvastatin Acetonide tert-Butyl Ester (CAS: 693793-87-2)?

Difluoro Atorvastatin Acetonide tert-Butyl Ester is a crystalline compound with a molecular weight of approximately 452.27 g/mol. It has a low solubility in water but is more soluble in organic solvents like acetone and dichloromethane. The compound is relatively stable under normal storage conditions but is sensitive to moisture and light. It is not highly reactive, but care should be taken to avoid contact with strong acids or bases due to potential hydrolysis.

How is Difluoro Atorvastatin Acetonide tert-Butyl Ester (CAS: 693793-87-2) typically synthesized?

Difluoro Atorvastatin Acetonide tert-Butyl Ester is synthesized through a multi-step process, starting from atorvastatin acetonide. The key steps involve protection of the double bond, introduction of fluorine atoms, and formation of the tert-butyl ester group. The process uses standard synthetic methods, including the use of Lewis acids as catalysts and selective fluorination reactions. The overall yield is moderate, around 50-60%, with good selectivity towards the desired product.

What industries use Difluoro Atorvastatin Acetonide tert-Butyl Ester (CAS: 693793-87-2)?

Difluoro Atorvastatin Acetonide tert-Butyl Ester is primarily used in the pharmaceutical industry for the development and production of atorvastatin, a cholesterol-lowering drug. It is also of interest in academic research for studying the effects of fluorinated compounds on biological systems. While not commonly used in other industries like polymers or semiconductors, it may have potential applications in advanced materials research.

What precautions should be taken when handling Difluoro Atorvastatin Acetonide tert-Butyl Ester (CAS: 693793-87-2)?

When handling Difluoro Atorvastatin Acetonide tert-Butyl Ester, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats to protect against skin and eye contact. The compound should be stored in a cool, dry place away from direct sunlight and moisture. In case of a spill, it should be handled carefully to avoid inhaling the dust or vapor. It is advisable to consult the Safety Data Sheet (SDS) for detailed handling and emergency response 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...