5-Boc-4,6,7-trihydro-1,2,3-triazolo[1,5-A]pyrazine

Basic Information

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CAS Number

1245782-69-7

Molecular Formula

C10H16N4O2

Molecular Weight

224.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

368 ºC

Flash Point

176 ºC

SMILES

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CC(C)(C)OC(=O)N1CCN2C(=CN=N2)C1

InChI

InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)13-4-5-14-8(7-13)6-11-12-14/h6H,4-5,7H2,1-3H3

InChIKey

WJRDRGQJIDIENS-UHFFFAOYSA-N

LogP

1.0288

Topological Polar Surface Area

60.25 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

277

Synonyms & References

English

tert-Butyl 6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxylate
6,7-Dihydro-[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxylic acid tert-butyl ester
5-Boc-4,6,7-trihydro-1,2,3-triazolo[1,5-a]pyrazine
tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
TERT-BUTYL 4H,6H,7H-[1,2,3]TRIAZOLO[1,5-A]PYRAZINE-5-CARBOXYLATE
AS-32505
SCHEMBL17926309
1,1-Dimethylethyl 6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxylate
[1,2,3]Triazolo[1,5-a]pyrazine-5(4H)-carboxylic acid, 6,7-dihydro-, 1,1-dimethylethyl ester
SY008210
MFCD16883061
CS-0313725
5-BOC-4,6,7-TRIHYDRO-1,2,3-TRIAZOLO[1,5-A]PYRAZINE
5-Boc-4 pound not6 pound not7-trihydro-1 pound not2 pound not3-triazolo[1 pound not5-a]pyrazine
VZB78269
AMY9181
DTXSID301139881
1245782-69-7
WJRDRGQJIDIENS-UHFFFAOYSA-N
A890456
AKOS022183160

MDL Number

MFCD16883061

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Boc-4,6,7-trihydro-1,2,3-triazolo[1,5-A]pyrazine (CAS: 1245782-69-7)?

5-Boc-4,6,7-trihydro-1,2,3-triazolo[1,5-A]pyrazine is a crystalline solid with a molecular weight of approximately 284.34 g/mol. It has a solubility of 12.5 mg/mL in ethanol and is slightly soluble in water. This compound is known for its reactivity towards nucleophiles and its ability to form stable complexes with various metal ions.

How is 5-Boc-4,6,7-trihydro-1,2,3-triazolo[1,5-A]pyrazine (CAS: 1245782-69-7) typically synthesized?

5-Boc-4,6,7-trihydro-1,2,3-triazolo[1,5-A]pyrazine is synthesized through a multi-step process involving the condensation of 5-bromopyrazine and 4,6-diaminopyrazole followed by protection of the amine group with tert-butyloxycarbonyl (Boc) group. The reaction typically proceeds with good yield and selectivity, making it suitable for synthetic applications.

What industries use 5-Boc-4,6,7-trihydro-1,2,3-triazolo[1,5-A]pyrazine (CAS: 1245782-69-7)?

5-Boc-4,6,7-trihydro-1,2,3-triazolo[1,5-A]pyrazine has applications in the pharmaceutical and polymer industries. It is used as an intermediate in the synthesis of various pharmacologically active compounds and as a functional group in polymer chemistry for its ability to form strong bonds with other molecules.

What precautions should be taken when handling 5-Boc-4,6,7-trihydro-1,2,3-triazolo[1,5-A]pyrazine (CAS: 1245782-69-7)?

When handling 5-Boc-4,6,7-trihydro-1,2,3-triazolo[1,5-A]pyrazine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from heat sources and should be handled in a fume hood to avoid inhalation. In case of a spill, it should be cleaned up using appropriate procedures as outlined in the material safety data sheet (MSDS).