6-Cyclopropyl-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid

Base Information

• Chemical Name: 6-Cyclopropyl-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid
• CAS No.: 923258-65-5
• Molecular Formula: C₁₁H₁₀N₂O₃
• Molecular Weight: 218.212
• Hs Code.: 2934999090
• European Community (EC) Number: 962-984-6
• Mol file: 923258-65-5.mol

Synonyms:923258-65-5;6-cyclopropyl-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid;6-Cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylic acid;MFCD08444313;6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid;SCHEMBL461627;YLB25865;AKOS000263788;SY082914;EN300-24703;Z56641198;6-cyclopropyl-3-methylisoxazolo[5,4-b]pyridine-4-carboxylicacid

Chemical Property of 6-Cyclopropyl-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid

Chemical Property:

• PSA: 76.22000
• LogP: 2.10680
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 218.06914219
• Heavy Atom Count: 16
• Complexity: 306

Purity/Quality:

98%min ^*data from raw suppliers

6-cyclopropyl-3-methylisoxazolo[5,4-b]pyridine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)O

Technology Process of 6-Cyclopropyl-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid

There total 3 articles about 6-Cyclopropyl-3-methylisoxazolo[5,4-b]pyridine-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: 94.0%

C12H12N2O3 (931997-41-0) → C11H10N2O3 (923258-65-5)

Guidance literature:

C₁₂H₁₂N₂O₃; With sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 1.5h;

With hydrogenchloride; In water; pH=2;

Reference yield:

Cyclopropyl methyl ketone (765-43-5) → C11H10N2O3 (923258-65-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: methanol; sodium / 0 - 20 °C / Reflux

1.2: pH 2

2.1: acetic acid / 2 h / Reflux

3.1: sodium hydroxide / tetrahydrofuran / 1.5 h / 20 °C

3.2: pH 2

With methanol; sodium; acetic acid; sodium hydroxide; In tetrahydrofuran;

Reference yield:

4-cyclopropyl-2,4-dioxo-butyric acid methyl ester (167408-67-5) → C11H10N2O3 (923258-65-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / 2 h / Reflux

2.1: sodium hydroxide / tetrahydrofuran / 1.5 h / 20 °C

2.2: pH 2

With acetic acid; sodium hydroxide; In tetrahydrofuran;

upstream raw materials:

Cyclopropyl methyl ketone

C₁₂H₁₂N₂O₃

4-cyclopropyl-2,4-dioxo-butyric acid methyl ester

Downstream raw materials:

C₁₁H₉ClN₂O₂

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