2-(4-Methylphenyl)-1,3-benzoxazole

Basic Information

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CAS Number

835-71-2

Molecular Formula

C14H11NO

Molecular Weight

209.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

112-114 ºC

Boiling Point

309 ºC

Density

1.155

Flash Point

125 ºC

SMILES

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CC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C14H11NO/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3

InChIKey

UTMZWCTVPHAOJZ-UHFFFAOYSA-N

LogP

3.8032200000000023

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

235

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

2-p-Tolyl-benzooxazole
L1I691076X
CS-0313866
DTXSID7052575
Q27282588
AS-16138
Benzoxazole, 2-(4-methylphenyl)-
2-(p-tolyl)-benzooxazole
2-(p-tolyl)benzo[d]oxazole
835-71-2
2-(4-Methylphenyl)benzoxazole
InChI=1/C14H11NO/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H
Benzoxazole, 2-p-tolyl-
UNII-L1I691076X
AB00540803
SCHEMBL592308
2-p-tolyl-benzoxazole
R 619
CCRIS 7878
BB 0244260
MFCD00042917
NS00038262
2-(4-METHYLPHENYL)BENZO(D)OXAZOLE
2-(p-tolyl)benzoxazole
2-(4-methylphenyl)-1,3-benzoxazole
FT-0658898
2-p-Tolylbenzoxazole
4-(2-BENZOXAZOLYL)TOLUENE
SY033768
2-(p-tolyl)-benzoxazole
EINECS 212-643-6

MDL Number

MFCD00042917

FAQ

What are the physical and chemical properties of 2-(4-Methylphenyl)-1,3-benzoxazole (CAS: 835-71-2)?

2-(4-Methylphenyl)-1,3-benzoxazole (CAS: 835-71-2) is a crystalline solid with a molecular weight of approximately 228.23 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but can undergo mild hydrolysis in basic media. It does not readily react with common reagents but may show reactivity in strong oxidizing or reducing environments.

How is 2-(4-Methylphenyl)-1,3-benzoxazole (CAS: 835-71-2) typically synthesized?

2-(4-Methylphenyl)-1,3-benzoxazole (CAS: 835-71-2) is typically synthesized via a multistep synthesis involving the protection of a primary amine with a benzyl group, followed by coupling with a substituted aromatic compound to form the benzoxazole ring. Palladium catalysis is often used, and the reaction is carried out under mild conditions to achieve high yields and good selectivity.

What industries use 2-(4-Methylphenyl)-1,3-benzoxazole (CAS: 835-71-2)?

2-(4-Methylphenyl)-1,3-benzoxazole (CAS: 835-71-2) is used in various industries, including pharmaceuticals, where it serves as a precursor for drug intermediates, and in the polymer industry, where it can enhance the thermal stability of polymers. It is also utilized in the manufacture of sensors and semiconductors due to its electronic properties.

What precautions should be taken when handling 2-(4-Methylphenyl)-1,3-benzoxazole (CAS: 835-71-2)?

When handling 2-(4-Methylphenyl)-1,3-benzoxazole (CAS: 835-71-2), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up promptly using suitable materials, and it is advisable to refer to the Material Safety Data Sheet (MSDS) for specific guidelines and emergency procedures.