BENZOOXAZOLE-2-CARBOXYLIC ACID

Base Information

• Chemical Name: BENZOOXAZOLE-2-CARBOXYLIC ACID
• CAS No.: 21598-08-3
• Molecular Formula: C8H5NO3
• Molecular Weight: 163.133
• Hs Code.: 2934999090
• Mol file: 21598-08-3.mol

Synonyms:1,3-Benzoxazole-2-carboxylic acid;

Chemical Property of BENZOOXAZOLE-2-CARBOXYLIC ACID

Chemical Property:

• Melting Point: 71-72 °C (decomp)
• Boiling Point: 352.742 °C at 760 mmHg
• PKA: 0.12±0.30(Predicted)
• Flash Point: 167.133 °C
• PSA: 63.33000
• Density: 1.455 g/cm³
• LogP: 1.52600
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

1,3-benzoxazole-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BENZOOXAZOLE-2-CARBOXYLIC ACID

There total 6 articles about 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: 94.0%

benzoxazole (273-53-0,29791-96-6) + carbon dioxide (124-38-9,18923-20-1) → benzoxazole-2-carboxylic acid (21598-08-3)

Guidance literature:

carbon dioxide; With AuOH(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene); potassium hydroxide; In tetrahydrofuran; at 20 ℃; for 0.25h; under 1125.11 Torr;

benzoxazole; In tetrahydrofuran; at 20 ℃; for 12h; under 1125.11 Torr;

With hydrogenchloride; In tetrahydrofuran; water; regioselective reaction;

DOI:10.1021/ja103429q

Reference yield: 94.0%

→ benzoxazole-2-carboxylic acid (21598-08-3)

Guidance literature:

With [Au(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)(OH)]; potassium hydroxide; In tetrahydrofuran; at 20 ℃; for 12h;

With hydrogenchloride; In tetrahydrofuran; water;

Reference yield:

benzoxazole (273-53-0,29791-96-6) → benzoxazole-2-carboxylic acid (21598-08-3)

Guidance literature:

at 25 ℃; for 4h; under 0.750075 - 75.0075 Torr; Schlenk technique;

DOI:10.1002/anie.202006842

upstream raw materials:

2-methyl-1,3-benzoxazole

3-amino-benzo[1,4]oxazin-2-ylideneamine

benzoxazole

carbon dioxide

Downstream raw materials:

2-(5-(4-nitro phenyl)-[1,3,4]oxadiazol-2-yl)benzoxazole

benzoxazole-2-carboxylic acid (ethoxyphenylmethylene) hydrazide

benzoxazole-2-carboxylic acid ethoxymethylene-hydrazide

4-nitro-benzoic acid N'-(benzoxazole-2-carbonyl)hydrazide