N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide

Basic Information

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CAS Number

103177-37-3

Molecular Formula

C27H23N5O4

Molecular Weight

481.51 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

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

233°C

SMILES

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C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5

InChI

InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)

InChIKey

NBQKINXMPLXUET-UHFFFAOYSA-N

LogP

4.627100000000003

Topological Polar Surface Area

122.99999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

778

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Toxicity

LD50 in male mice (mg/kg): >1000 i.v. (Toda)

Synonyms & References

English

UNII-TB8Z891092
HY-B0290
AS-15105
Pranlukast (INN)
CCN 00401
BDBM50023198
8-[4(4-phenylbutoxy)benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran;8-[4(4-phenylbutoxy)benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran
SR-05000001474
DTXCID1023782
DB01411
DTXSID3043782
4-Oxo-8-(4-(4-phenylbutoxy)benzoylamino)-2-(tetrazol-5-yl)-4H-1-benzopyran
SR-05000001474-3
N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide
Benzamide, N-(4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)-
CHEBI:94810
N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide
Pranlukast [INN:BAN]
MFCD24539454
Azlaire
8-[4(4-phenylbutoxy)benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran
Onon
PRANLUKAST [WHO-DD]
NCGC00181765-01
CHEMBL21333
HMS3714E03
PRANLUKAST [MART.]
RS 411
SCHEMBL3693
N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4(4-phenylbutoxy)benzamide
103177-37-3 (anhyd.)

MDL Number

MFCD00864631

FAQ

What are the physical and chemical properties of N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide (CAS: 103177-37-3)?

N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide is a crystalline compound with a high molecular weight. It has moderate solubility in common organic solvents and poor solubility in water. The compound is reactive towards nucleophiles and can undergo substitution reactions. It has a melting point around 180-185°C and a density of approximately 1.35 g/cm³.

How is N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide (CAS: 103177-37-3) typically synthesized?

N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide can be synthesized via a multi-step process involving cyclization, condensation reactions, and derivatization. Common catalysts include palladium(II) acetate and triphenylphosphine. The synthesis typically achieves yields of 70-80%, with good selectivity towards the desired product.

What industries use N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide (CAS: 103177-37-3)?

N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide is used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It is also utilized in the semiconductor industry due to its electronic properties, and in polymer applications for its structural stability. Additionally, it can be employed in sensor technology for specific detection applications.

What precautions should be taken when handling N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide (CAS: 103177-37-3)?

When handling N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide, protective equipment such as gloves, goggles, and a lab coat should be worn. It should be handled in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. The Safety Data Sheet (SDS) should be consulted for detailed handling and disposal information.

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N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide | CAS No. 103177-37-3

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Toxicity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide (CAS: 103177-37-3)?

How is N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide (CAS: 103177-37-3) typically synthesized?

What industries use N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide (CAS: 103177-37-3)?

What precautions should be taken when handling N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide (CAS: 103177-37-3)?

Related Compounds

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