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5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER

5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER structure

CAS No:
954239-61-3
Formula:
C9H6BrNO3
Chemical Name:
5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER
Synonyms:
5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER;2-Benzoxazolecarboxylic acid, 5-bromo-, methyl ester;Methyl 5-broMobenzo[d]oxazole-2-carboxylate;5-Bromo-2-benzoxazolecarboxylic acid methyl ester

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5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER Basic Attributes

Molecular Weight：

256.055

Exact Mass：

254.95300

DSSTox ID：

DTXSID60680024

HScode：

2934999090

Characteristics

PSA：

52.3

XLogP3：

3.1

Boiling Point：

330.4±34.0°C at 760 mmHg

5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER Use and Manufacturing

In the reaction flask, Under argon, a catalyst (9.9 mg, 0.025 mmol, 5 molpercent), potassium tert-butoxide (0.0672 g, 0.6 mmol) DMF (3.0 ml), 5-bromobenzoxazole (99.01 mg, 0.5 mmol) was added to the carbon dioxide gas, and the reaction was stirred at 80 ° C for 18 hours under normal pressure. Cooled to 65 ° C, methyl iodide (93 μl, 1.5 mmol) was added, The reaction was stirred at 65 ° C for 1 hour. Cooled to room temperature, the reaction was terminated with deionized water, The reaction product was extracted with ethyl acetate and purified by column chromatography (Using a mixed solvent of ethyl acetate / petroleum ether in a volume ratio of 1:10 as a developing solvent) The yield was 85percent.

Computed Properties

Molecular Weight:256.05
XLogP3:3.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:254.95311
Monoisotopic Mass:254.95311
Topological Polar Surface Area:52.3
Heavy Atom Count:14
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Benzoxazolecarboxylic acid, 5-bromo-, methyl ester

CAS No.: 954239-61-3

Content: 99.00%

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Guide of 5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER

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