1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethanone | CAS No. 1279822-87-5

1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethanone

Basic Information

CAS Number

1279822-87-5

Molecular Formula

C15H17F3N2O

Molecular Weight

298.31 g/mol

AD

Basic Physical Properties

O=C(C(F)(F)F)N1CC2C(C1)N(CC2)Cc1ccccc1

InChI

InChI=1S/C15H17F3N2O/c16-15(17,18)14(21)20-9-12-6-7-19(13(12)10-20)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2

InChIKey

GSFJOXSSOIZLBU-UHFFFAOYSA-N

LogP

2.2816

Topological Polar Surface Area

23.550000000000004 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

393

Synonyms & References

English

  • 1-(1-benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethan-1-one
  • 1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethanone
  • FCH3045301
  • AK484821
  • 1-{1-benzyl-octahydropyrrolo[3,4-b]pyrrol-5-yl}-2,2,2-trifluoroethan-1-one

MDL Number

MFCD28992143

FAQ

What are the physical and chemical properties of 1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethanone (CAS: 1279822-87-5)?

The compound 1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethanone (CAS: 1279822-87-5) is a crystalline solid. It has a molecular weight of approximately 411.4 g/mol. The compound is poorly soluble in water but soluble in organic solvents like methanol and acetonitrile. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It also exhibits basic properties and can form salts with acids.

How is 1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethanone (CAS: 1279822-87-5) typically synthesized?

1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethanone (CAS: 1279822-87-5) is typically synthesized through a multi-step process involving the protection of the trifluoroethanol group, followed by the introduction of the benzyl hexahydropyrrolo[3,4-b]pyrrole moiety. The reaction often uses catalytic amounts of a palladium-based catalyst. The overall yield is around 70-80%, and the reaction is selective towards the desired product.

What industries use 1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethanone (CAS: 1279822-87-5)?

1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethanone (CAS: 1279822-87-5) is used in the pharmaceutical industry for the synthesis of certain drug candidates due to its unique chemical structure. It also has potential applications in polymer chemistry, where its functionality can be exploited for copolymerization. Additionally, it may find use in the development of sensors and semiconductors.

What precautions should be taken when handling 1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethanone (CAS: 1279822-87-5)?

When handling 1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethanone (CAS: 1279822-87-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a fume hood to prevent inhalation. Spills should be cleaned up using appropriate absorbent materials and the area should be well ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling 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...