2,2'-(1,4-Phenylene)bis(3,1-Benzoxazin-4-one)

Basic Information

View in Editor

CAS Number

18600-59-4

Molecular Formula

C22H12N2O4

Molecular Weight

368.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

SMILES

View in Editor

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C22H12N2O4/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20/h1-12H

InChIKey

BBITXNWQALLODC-UHFFFAOYSA-N

LogP

4.023400000000002

Topological Polar Surface Area

86.2 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

647

Synonyms & References

English

PIONIN ZA 101
CYASORB UV 3638
NS00003546
MFCD00356293
FT-0654023
8V348NL4QK
CS-0206775
4H-3,1-BENZOXAZIN-4-ONE, 2,2'-P-PHENYLENEBIS-
2-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
Q27271051
2,2'-(1,4-Phenylene)bis(4H-benzo[d][1,3]oxazin-4-one)
2,2'-p-phenylenebis(3, 1-benzoxazin-4-one)
AS-10722
2,2'-(1,4-Phenylene)bis(4H-3,1-benzoxazin-4-one)
Oprea1_828724
2,2-(1,4-phenylene)bis((4H-3,1-benzoxazine-4-one)
Cyasorb UV-3638
DTXSID40864845
Phenylene-1,4-bis-(benz-1,3-oxazin-4-one)
BAS 00298026
AKOS000640593
SCHEMBL125184
2-[4-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
BB 0262678
UNII-8V348NL4QK
BCP12260
P2656
2,2'-(1,4-Phenylene)bis(4H-3,1-benzoxazin-4-one) 100 microg/mL in Chloroform:Acetonitrile
18600-59-4
2,2'-(1,4-Phenylene)bis(3,1-benzoxazin-4-one)
EC 418-280-1

MDL Number

MFCD00356293

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,2'-(1,4-Phenylene)bis(3,1-Benzoxazin-4-one) (CAS: 18600-59-4)?

2,2'-(1,4-Phenylene)bis(3,1-Benzoxazin-4-one) is a crystalline compound with a molecular weight of approximately 248.23 g/mol. It has a high solubility in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with acids to form less stable derivatives. It has good thermal stability up to 200°C and poor water solubility.

How is 2,2'-(1,4-Phenylene)bis(3,1-Benzoxazin-4-one) (CAS: 18600-59-4) typically synthesized?

2,2'-(1,4-Phenylene)bis(3,1-Benzoxazin-4-one) is synthesized via a multi-step reaction involving the coupling of 4-benzoyl-1H-benzimidazoles with phenylenediamine. Commonly, this involves protecting groups and subsequent deprotection steps. The reaction is typically carried out in anhydrous conditions, and the yield is usually around 70-80%.

What industries use 2,2'-(1,4-Phenylene)bis(3,1-Benzoxazin-4-one) (CAS: 18600-59-4)?

2,2'-(1,4-Phenylene)bis(3,1-Benzoxazin-4-one) is used in various industries, including pharmaceuticals for its antioxidant properties, in polymers for its thermal stability, in sensors for its sensing capabilities, and in semiconductors for its electronic properties. Its unique chemical structure makes it suitable for applications requiring both stability and reactivity.

What precautions should be taken when handling 2,2'-(1,4-Phenylene)bis(3,1-Benzoxazin-4-one) (CAS: 18600-59-4)?

When handling 2,2'-(1,4-Phenylene)bis(3,1-Benzoxazin-4-one), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, use appropriate absorbents and dispose of them according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency protocols.