3-(4-CHLORO-PHENYL)-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLIC ACID

Base Information

• Chemical Name: 3-(4-CHLORO-PHENYL)-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLIC ACID
• CAS No.: 109888-59-7
• Molecular Formula: C10H8ClNO3
• Molecular Weight: 225.631
• Hs Code.: 2934999090
• Mol file: 109888-59-7.mol

Synonyms:ASINEX-REAG BAS 09529458;3-(4-CHLORO-PHENYL)-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLIC ACID

Chemical Property of 3-(4-CHLORO-PHENYL)-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLIC ACID

Chemical Property:

• Melting Point: 168.5-169.5 °C
• Boiling Point: 389.5±52.0 °C(Predicted)
• PKA: 2.73±0.40(Predicted)
• PSA: 58.89000
• Density: 1.48±0.1 g/cm3(Predicted)
• LogP: 1.35320

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(4-CHLORO-PHENYL)-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLIC ACID

There total 3 articles about 3-(4-CHLORO-PHENYL)-4,5-DIHYDRO-ISOXAZOLE-5-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: 67.0%

4-chlorobenzaldehyde oxime (3717-24-6) + acrylic acid (79-10-7) → 3-(4-chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid (109888-59-7)

Guidance literature:

With pyridine; N-chloro-succinimide; In chloroform; at 20 ℃; Inert atmosphere; Cooling with ice;

DOI:10.1016/j.ejmech.2012.06.001

Reference yield:

3-(4-chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid ethyl ester → 3-(4-chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid (109888-59-7)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmcl.2009.04.133

Reference yield:

4-chlorobenzaldehyde (104-88-1) → 3-(4-chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid (109888-59-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium acetate / ethanol / 45 - 50 °C

2: pyridine; N-chloro-succinimide / chloroform / 20 °C / Inert atmosphere; Cooling with ice

With pyridine; N-chloro-succinimide; hydroxylamine hydrochloride; sodium acetate; In ethanol; chloroform;

DOI:10.1016/j.ejmech.2012.06.001

upstream raw materials:

4-chlorobenzaldehyde oxime

acrylic acid

4-chlorobenzaldehyde

Downstream raw materials:

N-[3-(4-{4-(3-(4-chloro-phenyl)-4,5-dihydro-isoxazole-5-carbonyl)-piperazin-1-yl}-3-fluoro-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide

C₁₈H₁₂Cl₂N₂O₃

C₁₇H₁₁ClN₂O₃

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