1,3-BENZOXAZOLE-5-CARBOXYLIC ACID

Base Information

• Chemical Name: 1,3-BENZOXAZOLE-5-CARBOXYLIC ACID
• CAS No.: 15112-41-1
• Molecular Formula: C8H5NO3
• Molecular Weight: 163.13000
• Hs Code.: 2934999090
• Mol file: 15112-41-1.mol

Synonyms:1,3-benzoxazole-5-carboxylic acid;Benzo[d]oxazole-5-carboxylic acid;

Chemical Property of 1,3-BENZOXAZOLE-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

Purity/Quality:

98%,99%, ^*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:

Technology Process of 1,3-BENZOXAZOLE-5-CARBOXYLIC ACID

There total 11 articles about 1,3-BENZOXAZOLE-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:

benzo[d]oxazole-5-carbaldehyde

benzo[d]oxazol-5-ylmethanol

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

Benzoxazol-5-carbonsaeurechlorid

Refernces

• 1、 Walker, Daniel P.,Wishka, Donn G.,Piotrowski, David W.,Jia, Shaojuan,Reitz, Steven C.,Yates, Karen M.,Myers, Jason K.,Vetman, Tatiana N.,Margolis, Brandon J.,Jacobsen, E. Jon,Acker, Brad A.,Groppi, Vincent E.,Wolfe, Mark L.,Thornburgh, Bruce A.,Tinholt, Paula M.,Cortes-Burgos, Luz A.,Walters, Rodney R.,Hester, Matthew R.,Seest, Eric P.,Dolak, Lester A.,Han, Fusen,Olson, Barbara A.,Fitzgerald, Laura,Staton, Brian A.,Raub, Thomas J.,Hajos, Mihaly,Hoffmann, William E.,Li, Kai S.,Higdon, Nicole R.,Wall, Theron M.,Hurst, Raymond S.,Wong, Erik H.F.,Rogers, Bruce N.. "Design, synthesis, structure-activity relationship, and in vivo activity of azabicyclic aryl amides as α7 nicotinic acetylcholine receptor agonists". . p. 8219 - 8248. Retrieved 2007/10/03.
• 2、 -. "Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease". . . Retrieved 2008/06/13.