8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one

Basic Information

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CAS Number

110683-22-2

Molecular Formula

C10H7N5O2

Molecular Weight

229.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

>280°C (dec.)

SMILES

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c1cc2c(=O)cc(oc2c(c1)N)c3[nH]nnn3

InChI

InChI=1S/C10H7N5O2/c11-6-3-1-2-5-7(16)4-8(17-9(5)6)10-12-14-15-13-10/h1-4H,11H2,(H,12,13,14,15)

InChIKey

GSZQAIJMONCDFZ-UHFFFAOYSA-N

LogP

0.5552999999999997

Topological Polar Surface Area

110.69000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

359

Synonyms & References

English

8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one
8-AMINO-4-OXO-2-(1H-TETRAZOLE-5-YL)-4H-1-BENZOPYRAN HYDROCHLORIDE
8-AMino-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one hydrochloride
8-Amino-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one (Pranlukast)
8-Amino-2-(1H-tetrazol-5-yl)
8-AMINO-2-(1H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-4-ONE
8-amino-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one (intermediate of pranlukast)
8-Amino-4-oxo-2-(tetrazol-5-yl)-4H-1-benzopyran
8-Amino-2-tetrazol-5-yl-4-oxo-4H-1-benzopyran
8-Amino-4-oxo-2-(tetrazol-5-yl)benzopyran
8-amino-2-(2H-tetrazol-5-yl)chromen-4-one
8-amino-2-(tetrazl-5-y1)-4H-1-benzopyran-4-one
C10H7N5O2
8-AMino-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
8-Amino-2-(tetrazol-5-yl)-1-benzopyran-4-one
8-Amino-4-oxo-2-(5-1H-tetrazolyl)-4H-1-benzopyran
4H-1-Benzopyran-4-one,8-amino-2-(2H-tetrazol-5-yl)-
Jsp000813
8-amino-2-(2H-1,2,3,4-tetrazol-5-yl)-4H-chromen-4-one

MDL Number

MFCD12024928

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one (CAS: 110683-22-2)?

8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one is a crystalline compound with a molecular weight of approximately 297.2 g/mol. It has a solubility in water of about 3 mg/mL at 25°C. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions and redox reactions. It is stable under normal laboratory conditions but should be stored in a cool, dry place away from direct sunlight.

How is 8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one (CAS: 110683-22-2) typically synthesized?

8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one can be synthesized using a multi-step procedure involving the condensation of a chromenone derivative with 5-aminotetrazole. The reaction is typically carried out in an aprotic solvent like DMF, with a coupling agent such as EDC. The yield and selectivity of the reaction can be optimized by adjusting the reaction conditions and using appropriate catalysts.

What industries use 8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one (CAS: 110683-22-2)?

8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one finds applications in various industries, including pharmaceuticals, as a precursor for drug development, and in sensors for its unique photochemical properties. It is also used in the synthesis of semiconductors due to its electronic properties. Additionally, it plays a role in the development of novel materials for polymer applications.

What precautions should be taken when handling 8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one (CAS: 110683-22-2)?

When handling 8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one, proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be stored in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and the area should be flushed with water. It is important to refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.