2-(5-Methyl-1,2-oxazol-3-yl)acetic acid

Base Information

• Chemical Name: 2-(5-Methyl-1,2-oxazol-3-yl)acetic acid
• CAS No.: 57612-87-0
• Molecular Formula: C₆H₇NO₃
• Molecular Weight: 141.126
• European Community (EC) Number: 826-403-9
• DSSTox Substance ID: DTXSID901304927
• Mol file: 57612-87-0.mol

Synonyms:2-(5-methyl-1,2-oxazol-3-yl)acetic acid;57612-87-0;2-(5-Methylisoxazol-3-yl)acetic acid;5-methyl-3-isoxazoleacetic acid;3-Isoxazoleacetic acid, 5-methyl-;SCHEMBL724170;UNFVEYMEZRVVOB-UHFFFAOYSA-N;DTXSID901304927;MFCD10036163;2-(5-Methylisoxazol-3-yl)aceticacid;AKOS006229695;(5-methyl-isoxazol-3-yl)-acetic acid;BS-13332;EN300-77356;F8889-0384;Z1194052187

Chemical Property of 2-(5-Methyl-1,2-oxazol-3-yl)acetic acid

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 141.042593085
• Heavy Atom Count: 10
• Complexity: 137

Purity/Quality:

97% ^*data from raw suppliers

2-(5-methyl-1,2-oxazol-3-yl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NO1)CC(=O)O

Technology Process of 2-(5-Methyl-1,2-oxazol-3-yl)acetic acid

There total 4 articles about 2-(5-Methyl-1,2-oxazol-3-yl)acetic 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: 89.0%

(5-methyl-isoxazol-3-yl)-acetic acid ethyl ester (60148-50-7) → (5-methyl-1,2-oxazol-3-yl)acetic acid (57612-87-0)

Guidance literature:

With hydrogenchloride; water; at 50 ℃;

Reference yield:

2-(5-methylisoxazol-3-yl)acetonitrile (35166-41-7) → (5-methyl-1,2-oxazol-3-yl)acetic acid (57612-87-0)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / 2 h / Heating

2: aq. NaOH / 16 h / Ambient temperature

With hydrogenchloride; sodium hydroxide;

Reference yield:

3-chloromethyl-5-methylisoxazole (35166-37-1) → (5-methyl-1,2-oxazol-3-yl)acetic acid (57612-87-0)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethyl sulfoxide / 20 °C

2: potassium hydroxide / 1,4-dioxane

With potassium hydroxide; In 1,4-dioxane; dimethyl sulfoxide;

upstream raw materials:

(5-methyl-isoxazol-3-yl)-acetic acid ethyl ester

3-chloromethyl-5-methylisoxazole

sodium cyanide

2-(5-methylisoxazol-3-yl)acetonitrile

Downstream raw materials:

C₂₅H₂₆N₆O₂

N-(2,6-Dimethyl-phenyl)-2-(5-methyl-isoxazol-3-yl)-acetamide