3-{2-[4-(2-Methylphenyl)-1-piperazinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine | CAS No. 72822-12-9

3-{2-[4-(2-Methylphenyl)-1-piperazinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine

Basic Information

CAS Number

72822-12-9

Molecular Formula

C19H27N5

Molecular Weight

325.46 g/mol

AD

Basic Physical Properties

Melting Point

158-160°

Boiling Point

538.9 oC at 760 mmHg

Density

1.22

Flash Point

279.7 oC

Refractive Index

1.658

CC1=CC=CC=C1N2CCN(CC2)CCC3=NN=C4N3CCCC4

InChI

InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3

InChIKey

RFWZESUMWJKKRN-UHFFFAOYSA-N

LogP

2.2875200000000007

Topological Polar Surface Area

37.190000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

395

Synonyms & References

English

  • Dapirazol [INN-Spanish]
  • CHEMBL1201216
  • Q901963
  • Dapiprazole (INN)
  • NCGC00262927-03
  • 5,6,7,8-TETRAHYDRO-3-(2-(4-O-TOLYL-1-PIPERAZINYL)ETHYL))-S-TRIAZOLO(4,3-A)PYRIDINE
  • DTXSID90223140
  • Dapiprazole
  • D07775
  • GTPL7155
  • dapiprazolo
  • Dapirazol
  • Remydrial
  • NS00009661
  • Dapirazol (INN-Spanish)
  • DTXCID90145631
  • Dapiprazol [German]
  • Dapirazolum (INN-Latin)
  • 1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine
  • 3-(2-(4-o-tolylpiperazin-1-yl)ethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
  • AKOS024463973
  • EN300-18563892
  • 72822-12-9
  • 72822-12-9 (free base)
  • dapiprazolum
  • Dapirazolum
  • 3-(2-(4-(2-methylphenyl)piperazin-1-yl)ethyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyridine
  • L000681
  • S01EX02
  • DAPIPRAZOLE [VANDF]
  • SCHEMBL152543

MDL Number

MFCD00865637

FAQ

What are the physical and chemical properties of 3-{2-[4-(2-Methylphenyl)-1-piperazinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine (CAS: 72822-12-9)?

3-{2-[4-(2-Methylphenyl)-1-piperazinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine is a crystalline solid with a molecular weight of approximately 389.4 g/mol. It has a low solubility in water but is soluble in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). This compound is relatively stable under normal conditions but reacts with strong acids and bases. It is an electron-donating molecule with potential for nucleophilic substitution reactions.

How is 3-{2-[4-(2-Methylphenyl)-1-piperazinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine (CAS: 72822-12-9) typically synthesized?

This compound is synthesized via a multistep process involving the condensation of an amine with an azide, followed by a ring expansion and substitution reaction. The synthesis typically requires the use of triphenylphosphine as a catalyst, and the overall yield is moderate to good. Care should be taken to minimize exposure to moisture and to use appropriate protective measures during the reaction.

What industries use 3-{2-[4-(2-Methylphenyl)-1-piperazinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine (CAS: 72822-12-9)?

This compound finds applications in the pharmaceutical industry for its potential as an intermediate in the synthesis of bioactive molecules. It is also utilized in the development of sensors and as a component in certain polymer formulations for its electronic properties. Due to its chemical structure, it is less commonly used in the semiconductor industry but has potential in specific applications.

What precautions should be taken when handling 3-{2-[4-(2-Methylphenyl)-1-piperazinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine (CAS: 72822-12-9)?

Proper handling of this compound requires the use of personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from moisture and heat sources. Fume hoods should be used during preparation and manipulation. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials, and the area should be thoroughly ventilated. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.

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...