2,2'-(1,2-Ethenediyl)bis(5-methyl-1,3-benzoxazole)

Basic Information

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CAS Number

1041-00-5

Molecular Formula

C18H14N2O2

Molecular Weight

290.32 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

187.0 to 191.0 deg-C

Boiling Point

471.2°C at 760 mmHg

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

InChIKey

VKRZNAWSCAUDRQ-UHFFFAOYSA-N

LogP

4.756240000000003

Topological Polar Surface Area

52.06 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

389

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

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]

MDL Number

MFCD00408425

FAQ

What are the physical and chemical properties of 2,2'-(1,2-Ethenediyl)bis(5-methyl-1,3-benzoxazole) (CAS: 1041-00-5)?

2,2'-(1,2-Ethenediyl)bis(5-methyl-1,3-benzoxazole) (CAS: 1041-00-5) is a crystalline solid with a molecular weight of approximately 242.25 g/mol. It has a high solubility in organic solvents like ethanol and acetone but is insoluble in water. The compound displays excellent thermal stability and good chemical resistance, particularly towards strong acids and bases. It is also known for its excellent reactivity with nucleophiles, which makes it useful in a variety of organic synthesis applications.

How is 2,2'-(1,2-Ethenediyl)bis(5-methyl-1,3-benzoxazole) (CAS: 1041-00-5) typically synthesized?

2,2'-(1,2-Ethenediyl)bis(5-methyl-1,3-benzoxazole) (CAS: 1041-00-5) is synthesized via the condensation of 5-methyl-1,3-benzoxazole with 1,2-dibromopropane in the presence of a base like potassium carbonate. The reaction is typically carried out in an inert atmosphere to prevent side reactions. The product is then purified through recrystallization from an appropriate solvent.

What industries use 2,2'-(1,2-Ethenediyl)bis(5-methyl-1,3-benzoxazole) (CAS: 1041-00-5)?

2,2'-(1,2-Ethenediyl)bis(5-methyl-1,3-benzoxazole) (CAS: 1041-00-5) is widely used in the pharmaceutical industry for its antimicrobial and antioxidant properties. It also finds applications in the polymer industry for enhancing the mechanical properties of polymers. Additionally, it is used in the development of sensors and semiconductors due to its electronic and optical properties.

What precautions should be taken when handling 2,2'-(1,2-Ethenediyl)bis(5-methyl-1,3-benzoxazole) (CAS: 1041-00-5)?

When handling 2,2'-(1,2-Ethenediyl)bis(5-methyl-1,3-benzoxazole) (CAS: 1041-00-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, it should be cleaned up immediately using appropriate absorbents, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.