3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid

Base Information

• Chemical Name: 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid
• CAS No.: 91182-58-0
• Molecular Formula: C11H8BrNO3
• Molecular Weight: 282.093
• Hs Code.: 2934999090
• Mol file: 91182-58-0.mol

Synonyms:3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid;4-Isoxazolecarboxylic acid, 3-(4-broMophenyl)-5-Methyl-

Chemical Property of 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid

Chemical Property:

• Melting Point: 216-218 °C
• PSA: 63.33000
• LogP: 3.11070
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Bromophenyl)-5-methylisoxazole-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

Technology Process of 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid

There total 5 articles about 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-(p-bromophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester (954230-26-3) → 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid (91182-58-0)

Guidance literature:

3-(p-bromophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester; With water; sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 3h;

With hydrogenchloride; In water; pH=Ca. 3; Cooling with ice;

Reference yield:

4-bromo-N-hydroxybenzenecarboximidoyl chloride (29203-58-5) → 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid (91182-58-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium methylate / methanol / 0.67 h / 0 - 25 °C

2.1: water; sodium hydroxide / tetrahydrofuran / 3 h / 20 °C

2.2: pH Ca_. 3 / Cooling with ice

With water; sodium methylate; sodium hydroxide; In tetrahydrofuran; methanol;

Reference yield:

4-bromobenzaldehyde oxime (25062-46-8,40979-16-6,34158-73-1) → 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid (91182-58-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: N-chloro-succinimide / N,N-dimethyl-formamide / 2 h / 15 - 20 °C

2.1: sodium methylate / methanol / 0.67 h / 0 - 25 °C

3.1: water; sodium hydroxide / tetrahydrofuran / 3 h / 20 °C

3.2: pH Ca_. 3 / Cooling with ice

With N-chloro-succinimide; water; sodium methylate; sodium hydroxide; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

upstream raw materials:

acetoacetic acid methyl ester

4-bromo-N-hydroxybenzenecarboximidoyl chloride

4-bromobenzaldehyde oxime

3-(p-bromophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester

Downstream raw materials:

3-(4-bromophenyl)-5-methyl-N-phenylisoxazole-4-carboxamide

C₂₉H₂₇ClN₂O₅

(4'-{4-[(R)-1-(2-chloro-phenyl)-ethoxycarbonylamino]-5-methyl-isoxazol-3-yl}-biphenyl-4-yl)-acetic acid

C₃₀H₂₇ClN₂O₅

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