3-(2-Fluoro-phenyl)-5-methyl-4,5-dihydro-isoxazole-5-carboxylic acid

Base Information

• Chemical Name: 3-(2-Fluoro-phenyl)-5-methyl-4,5-dihydro-isoxazole-5-carboxylic acid
• CAS No.: 878427-02-2
• Molecular Formula: C₁₁H₁₀FNO₃
• Molecular Weight: 223.204
• Hs Code.: 2934999090
• European Community (EC) Number: 847-058-0
• DSSTox Substance ID: DTXSID00390372
• Mol file: 878427-02-2.mol

Synonyms:878427-02-2;3-(2-Fluoro-phenyl)-5-methyl-4,5-dihydro-isoxazole-5-carboxylic acid;3-(2-fluorophenyl)-5-methyl-4,5-dihydroisoxazole-5-carboxylic acid;MFCD07186535;3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid;3-(2-fluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;DTXSID00390372;STK352100;AKOS000301826;AKOS016345060;LS-03304;EN300-92628;A916139;2(5H)-Furanone, 4-azido-3-chloro-5-(1-methylethoxy)-;3-(2-Fluorophenyl)-5-methyl-4H-isoxazole-5-carboxylic acid

Chemical Property of 3-(2-Fluoro-phenyl)-5-methyl-4,5-dihydro-isoxazole-5-carboxylic acid

Chemical Property:

• PSA: 58.89000
• LogP: 1.22900
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 223.06447134
• Heavy Atom Count: 16
• Complexity: 331

Purity/Quality:

97% ^*data from raw suppliers

3-(2-fluorophenyl)-5-methyl-4,5-dihydroisoxazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=NO1)C2=CC=CC=C2F)C(=O)O

Technology Process of 3-(2-Fluoro-phenyl)-5-methyl-4,5-dihydro-isoxazole-5-carboxylic acid

There total 3 articles about 3-(2-Fluoro-phenyl)-5-methyl-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:

2-fluorobenzaldehyde oxime (24652-66-2,451-79-6) → C11H10FNO3 (878427-02-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hypochlorite / tetrahydrofuran / 20 °C

2: lithium hydroxide; water / tetrahydrofuran; methanol

With sodium hypochlorite; water; lithium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmcl.2012.12.043

Reference yield:

2-Fluorobenzaldehyde (446-52-6) → C11H10FNO3 (878427-02-2)

Guidance literature:

Multi-step reaction with 3 steps

1: hydroxylamine hydrochloride; sodium acetate / ethanol / 20 °C

2: sodium hypochlorite / tetrahydrofuran / 20 °C

3: lithium hydroxide; water / tetrahydrofuran; methanol

With sodium hypochlorite; hydroxylamine hydrochloride; water; sodium acetate; lithium hydroxide; In tetrahydrofuran; methanol; ethanol;

DOI:10.1016/j.bmcl.2012.12.043

Reference yield:

C12H12FNO3 (1424394-76-2) → C11H10FNO3 (878427-02-2)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmcl.2012.12.043

upstream raw materials:

2-fluorobenzaldehyde oxime

C₁₂H₁₂FNO₃

2-Fluorobenzaldehyde

Downstream raw materials:

C₂₈H₂₄Cl₂FN₃O₅

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