Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl-

Basic Information

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CAS Number

12224-12-3

Molecular Formula

C18H14N2O2

Molecular Weight

290.3 g/mol

Chemical Classification

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

180-181°C

Boiling Point

471.2 °C at 760 mmHg

Density

1.287

Flash Point

237.3 °C

Refractive Index

1.727

SMILES

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CC1=CC2=C(C=C1)OC(=N2)C=CC3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C18H14N2O2/c1-11-3-5-15-13(9-11)19-17(21-15)7-8-18-20-14-10-12(2)4-6-16(14)22-18/h3-10H,1-2H3/b8-7+

InChIKey

VKRZNAWSCAUDRQ-BQYQJAHWSA-N

LogP

4.756240000000003

Topological Polar Surface Area

52.06 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

389

Synonyms & References

English

DTXSID901236908
(E)-1,2-bis(5-methylbenzo[d]oxazol-2-yl)ethene
.alpha.,.beta.-Di(5-methylbenzoxazol-2-yl)ethene
Benzoxazole, 2,2'-(1E)-1,2-ethenediylbis[5-methyl-
MFCD00408425
5-Methyl-2-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole
AS-15143
SCHEMBL553696
Cambridge id 5311540
A804859
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
EINECS 241-271-7
trans-2,2'-Ethylenebis(5-methylbenzoxazole)
1,2-di(5-methyl-2-benzoxazolyl)ethylene
2,2'-vinylenebis[5-methylbenzoxazole]
1041-00-5
Benzoxazole, 2,2'-ethylenebis(5-methyl-
AKOS015896215
VKRZNAWSCAUDRQ-BQYQJAHWSA-N
(E)-2,2'-Vinylenebis[5-methylbenzoxazole]
2,2'-Vinylenebis(5-methylbenzoxazole)
2,2'-Vinylenebis5-methylbenzoxazole
AB00080101-01
Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl-
EINECS 213-866-1
Ethene, 1,2-bis(5-methyl-benzoxazol-2-yl)-
Benzoxazole, vinylenebis[5-methyl-
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-, (E)-
LS-14622
FBA-135
2,2'-(1E)-1,2-Ethenediylbis[5-methylbenzoxazole]

FAQ

What are the physical and chemical properties of Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl- (CAS: 12224-12-3)]?

Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl- (CAS: 12224-12-3)] is a crystalline compound with a molecular weight of approximately 234.24 g/mol. It has poor water solubility but good solubility in organic solvents like dimethylformamide and dimethyl sulfoxide. Its reactivity is moderate, and it can undergo various synthetic transformations under appropriate conditions.

How is Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl- (CAS: 12224-12-3)] typically synthesized?

Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl- (CAS: 12224-12-3)] can be synthesized via the condensation of 5-methylbenzoxazole with 1,2-ethanedithiol. The reaction typically occurs in the presence of a base and a suitable solvent, followed by workup and purification steps. The yield and selectivity of the reaction can be influenced by the choice of reagents and reaction conditions.

What industries use Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl- (CAS: 12224-12-3)]?

Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl- (CAS: 12224-12-3)] is widely used in the pharmaceutical industry for its potent biological activity, particularly in the development of antimicrobial agents. It is also utilized in the polymer industry for its thermal stability and as a precursor in organic synthesis. Its applications extend to sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl- (CAS: 12224-12-3)]?

Handling Benzoxazole, 2,2'-(1,2-ethenediyl)bis[5-methyl- (CAS: 12224-12-3)] requires appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. In case of a spill, immediately clean up using appropriate absorbent materials and ensure proper disposal. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.