ChemicalBook > CAS DataBase List > BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER

BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER

Product Name
BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER
CAS No.
27383-86-4
Chemical Name
BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER
Synonyms
Methyl 2-benzoxazolecarboxylate;Methyl benzo[d]oxazole-2-carboxylate;Methyl 1,3-benzoxazole-2-carboxylate;2-Benzoxazolecarboxylic acid, Methyl ester;BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER
CBNumber
CB52456750
Molecular Formula
C9H7NO3
Formula Weight
177.16
MOL File
27383-86-4.mol
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BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER Property

Melting point:
99 °C
Boiling point:
272.3±23.0 °C(Predicted)
Density 
1.288±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
pka
0.14±0.10(Predicted)
Appearance
White to light brown Solid
InChI
InChI=1S/C9H7NO3/c1-12-9(11)8-10-6-4-2-3-5-7(6)13-8/h2-5H,1H3
InChIKey
YDKNBNOOCSNPNS-UHFFFAOYSA-N
SMILES
O1C2=CC=CC=C2N=C1C(OC)=O
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Safety

HS Code 
2934999090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
M220193
Product name
MethylBenzo[D]oxazole-2-carboxylate
Packaging
100mg
Price
$60
Updated
2021/12/16
TRC
Product number
M220193
Product name
MethylBenzo[D]oxazole-2-carboxylate
Packaging
50mg
Price
$45
Updated
2021/12/16
AK Scientific
Product number
W5049
Product name
Methylbenzo[d]oxazole-2-carboxylate
Packaging
250mg
Price
$135
Updated
2021/12/16
ChemScene
Product number
CS-0061868
Product name
Methyl2-benzoxazolecarboxylate
Packaging
1g
Price
$182
Updated
2021/12/16
ChemScene
Product number
CS-0061868
Product name
Methyl2-benzoxazolecarboxylate
Packaging
250mg
Price
$91
Updated
2021/12/16
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BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER Chemical Properties,Usage,Production

Uses

Methyl Benzo[D]oxazole-2-carboxylate is used as a reactant in the preparation of benzoxazole-based oxadiazoles as antimicrobial agents.

Synthesis

273-53-0

124-38-9

74-88-4

27383-86-4

Catalyst (9.9 mg, 0.025 mmol, 5 mol%), potassium tert-butoxide (0.0672 g, 0.6 mmol) and DMF (3.0 mL) were added to the reaction flask under argon protection. Benzoxazole (50.7 μL, 0.5 mmol) was then added and carbon dioxide gas was passed under atmospheric pressure. The reaction mixture was stirred at 80 °C for 18 hours. After completion of the reaction, the temperature was lowered to 65 °C, iodomethane (93 μL, 1.5 mmol) was added, and stirring was continued at 65 °C for 1 h. The reaction was carried out with the aid of deionized water. At the end of the reaction, the reaction was quenched with deionized water and the reaction product was extracted with ethyl acetate. The yield of the product, methyl benzo[d]oxazole-2-carboxylate, was measured to be 95% by gas chromatography analysis. Further purification by column chromatography using ethyl acetate/petroleum ether (1:10, v/v) as the unfolding solvent gave 90% yield of the purified product.

References

[1] Green Chemistry, 2018, vol. 20, # 5, p. 989 - 996
[2] Organic Letters, 2010, vol. 12, # 15, p. 3567 - 3569
[3] Journal of the American Chemical Society, 2010, vol. 132, # 26, p. 8858 - 8859
[4] Patent: CN106565623, 2017, A. Location in patent: Paragraph 0021
[5] Angewandte Chemie - International Edition, 2010, vol. 49, # 46, p. 8670 - 8673

BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Product
METHYL BENZO[D]OXAZOLE-2-CARBOXYLATE 27383-86-4
Price
US $2.00-6.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
100kg
Release date
2025-07-30