3-Methyl-5-((2-oxo-5-oxazolidinyl)methoxy)benzoic acid

Base Information

• Chemical Name: 3-Methyl-5-((2-oxo-5-oxazolidinyl)methoxy)benzoic acid
• CAS No.: 5057-74-9
• Molecular Formula: C₁₂H₁₃NO₅
• Molecular Weight: 251.239
• UNII: EE1CLZ54US
• Wikidata: Q27277130
• Mol file: 5057-74-9.mol

Synonyms:5057-74-9;3-Methyl-5-((2-oxooxazolidin-5-yl)methoxy)benzoic acid;3-Methyl-5-((2-oxo-5-oxazolidinyl)methoxy)benzoic acid;UNII-EE1CLZ54US;EE1CLZ54US;Benzoic acid, 3-methyl-5-((2-oxo-5-oxazolidinyl)methoxy)-;3-Methyl-5-((2-oxooxazolidin-5-yl)methoxy)benzoicacid;m-Anisic acid, 5-methyl-alpha-(2-oxo-5-oxazolidinyl)-;Tizanidinechlorhydrate;SCHEMBL4189775;FD10686;Q27277130;M-ANISIC ACID, 5-METHYL-.ALPHA.-(2-OXO-5-OXAZOLIDINYL)-

Chemical Property of 3-Methyl-5-((2-oxo-5-oxazolidinyl)methoxy)benzoic acid

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 251.07937252
• Heavy Atom Count: 18
• Complexity: 332

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C(=O)O

Technology Process of 3-Methyl-5-((2-oxo-5-oxazolidinyl)methoxy)benzoic acid

There total 1 articles about 3-Methyl-5-((2-oxo-5-oxazolidinyl)methoxy)benzoic 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:

metaxalone (1665-48-1) → 3-methyl-5-(2-oxo-oxazolidin-5-ylmethoxy)-benzoic acid (5057-74-9)

Guidance literature:

With potassium permanganate; at 75 - 80 ℃; for 3h;

DOI:10.1021/jm00321a004

Reference yield:

(3R,4S,5S,6S)-2-bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate (57820-69-6) + 3-methyl-5-(2-oxo-oxazolidin-5-ylmethoxy)-benzoic acid (5057-74-9) → O2,O3,O4-triacetyl-O1-[3-methyl-5-((Ξ)-2-oxo-oxazolidin-5-ylmethoxy)-benzoyl]-β-D-glucopyranuronic acid methyl ester (104325-30-6)

Guidance literature:

With pyridine; acetic anhydride; for 0.25h;

DOI:10.1021/jm00321a004

upstream raw materials:

metaxalone

Downstream raw materials:

O²,O³,O⁴-triacetyl-O¹-[3-methyl-5-((Ξ)-2-oxo-oxazolidin-5-ylmethoxy)-benzoyl]-β-D-glucopyranuronic acid methyl ester