Benzo[d]oxazole-5-carboxylic acid

Base Information

• Chemical Name: Benzo[d]oxazole-5-carboxylic acid
• CAS No.: 15112-41-1
• Molecular Formula: C8H5NO3
• Molecular Weight: 163.13000
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50597314
• Wikidata: Q72440130
• Mol file: 15112-41-1.mol

Synonyms:15112-41-1;Benzo[d]oxazole-5-carboxylic acid;1,3-BENZOXAZOLE-5-CARBOXYLIC ACID;BENZOXAZOLE-5-CARBOXYLIC ACID;5-Benzoxazolecarboxylic acid;MFCD09954950;benzooxazol-5-carboxylic acid;SCHEMBL703854;benzo[d]oxazole-5-carboxylicacid;DTXSID50597314;WJBOXEGAWJHKIM-UHFFFAOYSA-N;1,3-benzoxazol-5-carboxylic acid;AMY20441;BCP31746;AKOS006240829;PB47424;DS-16578;SY008172;DB-063881;CS-0043853;1,3-benzoxazole-5-carboxylic acid, AldrichCPR;EN300-100217;A884107;F2191-0013;Z1198266513

Chemical Property of Benzo[d]oxazole-5-carboxylic acid

Chemical Property:

• Melting Point: 241-242℃
• Boiling Point: 350.1±15.0 °C(Predicted)
• PKA: 3.50±0.30(Predicted)
• PSA: 63.33000
• Density: 1.455
• LogP: 1.52600
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 163.026943022
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

Benzo[d]oxazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)O)N=CO2

Technology Process of Benzo[d]oxazole-5-carboxylic acid

There total 11 articles about Benzo[d]oxazole-5-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: 92.0%

orthoformic acid triethyl ester (122-51-0) + 3-amino-4-hydroxybenzoic acid (1571-72-8) → 1,3-benzoxazol-5-carboxylic acid (15112-41-1)

Guidance literature:

for 3h; Reflux;

Reference yield: 56.0%

trimethyl orthoformate (149-73-5) + 3-amino-4-hydroxybenzoic acid (1571-72-8) → 1,3-benzoxazol-5-carboxylic acid (15112-41-1)

Guidance literature:

at 100 ℃; for 5h;

DOI:10.1016/j.bmc.2006.09.019

Reference yield: 27.0%

4-aminosalicylic acid (2374-03-0) → 1,3-benzoxazol-5-carboxylic acid (15112-41-1)

Guidance literature:

With trimethyl orthoformate;

upstream raw materials:

formic acid

3-amino-4-hydroxybenzoic acid

trimethyl orthoformate

4-hydroxybenzoic acid, butyl ester

Downstream raw materials:

Benzoxazol-5-carbonsaeurechlorid

4-[1-(1,3-benzoxazol-5-ylcarbonyl)piperidin-4-yl]-6-(4-methoxybenzyl)pyrimidin-2-amine

benzo[d]oxazole-5-carbaldehyde

benzo[d]oxazol-5-ylmethanol