3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid

Base Information

• Chemical Name: 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
• CAS No.: 214848-62-1
• Molecular Formula: C₉H₇NO₄
• Molecular Weight: 193.159
• Hs Code.: 2934999090
• European Community (EC) Number: 844-329-5
• DSSTox Substance ID: DTXSID70590862
• Wikidata: Q82484481
• Mol file: 214848-62-1.mol

Synonyms:214848-62-1;3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid;3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid;3-oxo-4H-1,4-benzoxazine-7-carboxylic acid;3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylicacid;MFCD07774185;SCHEMBL941445;3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxylic acid;DTXSID70590862;AKOS005072865;CS-W000709;HC-0701;MB04719;SY168029;EN300-22965;F30947;J-014096;J-513008;Z147647092;3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylicacid;1-(5-METHYL-BENZO[1,2,5]THIADIAZOLE-4-SULFONYL)-PYRROLIDINE-2-CARBOXYLICACID

Chemical Property of 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid

Chemical Property:

• Melting Point: 332～334℃
• Boiling Point: 476.7±45.0 °C(Predicted)
• PKA: 4.04±0.20(Predicted)
• PSA: 75.63000
• Density: 1.459±0.06 g/cm3(Predicted)
• LogP: 0.85370
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 193.03750770
• Heavy Atom Count: 14
• Complexity: 266

Purity/Quality:

97% ^*data from raw suppliers

3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)NC2=C(O1)C=C(C=C2)C(=O)O

Technology Process of 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid

There total 3 articles about 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-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:

4-(2-chloro-acetylamino)-3-hydroxy-benzoic acid methyl ester (142165-99-9) → 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid (214848-62-1)

Guidance literature:

Multi-step reaction with 2 steps

1: diluted NaOH-solution

2: diluted natrium carbonate

With sodium hydroxide; sodium carbonate;

Reference yield:

3-hydroxy-4-aminobenzoic acid methyl ester (63435-16-5) → 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid (214848-62-1)

Guidance literature:

Multi-step reaction with 3 steps

1: benzene

2: diluted NaOH-solution

3: diluted natrium carbonate

With sodium hydroxide; sodium carbonate; benzene;

Reference yield:

methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate (142166-00-5) → 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid (214848-62-1)

Guidance literature:

With sodium carbonate;

upstream raw materials:

methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate

4-(2-chloro-acetylamino)-3-hydroxy-benzoic acid methyl ester

3-hydroxy-4-aminobenzoic acid methyl ester