5-Chloro-benzooxazole-2-carboxylic acid

Base Information

• Chemical Name: 5-Chloro-benzooxazole-2-carboxylic acid
• CAS No.: 49559-65-1
• Molecular Formula: C8H4ClNO3
• Molecular Weight: 197.58
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10438532
• Nikkaji Number: J1.247.819D
• Wikidata: Q82254295
• Mol file: 49559-65-1.mol

Synonyms:5-Chloro-benzooxazole-2-carboxylic acid;49559-65-1;5-Chlorobenzo[d]oxazole-2-carboxylic acid;5-CHLORO-1,3-BENZOXAZOLE-2-CARBOXYLIC ACID;2-BENZOXAZOLECARBOXYLIC ACID, 5-CHLORO-;5-chlorobenzoxazole-2-carboxylic acid;SCHEMBL3640007;DTXSID10438532;REV-3579;ZBA55965;MFCD09701308;AKOS006332236;AB51022;5-Chlorobenzo[d]oxazole-2-carboxylicacid;AS-30613;CS-0199779;FT-0731103;EN300-244577

Chemical Property of 5-Chloro-benzooxazole-2-carboxylic acid

Chemical Property:

• PSA: 63.33000
• LogP: 2.17940
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 196.9879707
• Heavy Atom Count: 13
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-benzooxazole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)N=C(O2)C(=O)O
• Uses: 5-Chloro-benzooxazole-2-carboxylic Acid can be used for preventing, treating or reducing β-?amyloid-?related disease.

Technology Process of 5-Chloro-benzooxazole-2-carboxylic acid

There total 2 articles about 5-Chloro-benzooxazole-2-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:

carbon dioxide (124-38-9,18923-20-1) + 5-chloro-benzoxazole (17200-29-2) → 5-chloro-benzooxazole-2-carboxylic acid (49559-65-1)

Guidance literature:

carbon dioxide; 5-chloro-benzoxazole; With caesium carbonate; In N,N-dimethyl-formamide; at 125 ℃; for 16h; under 1064.07 Torr;

With hydrogenchloride; water;

DOI:10.1021/ol101450u

Reference yield:

→ 5-chloro-benzooxazole-2-carboxylic acid (49559-65-1)

Guidance literature:

Reference yield:

5-chloro-benzooxazole-2-carboxylic acid (49559-65-1) + methyl iodide (74-88-4) → methyl 5-chloro-1,3-benzoxazole-2-carboxylate (27383-92-2)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 1h; Inert atmosphere; sealed tube;

DOI:10.1021/ol301760n

upstream raw materials:

carbon dioxide

5-chloro-benzoxazole

Downstream raw materials:

methyl 5-chloro-1,3-benzoxazole-2-carboxylate

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