Benzo[d]isoxazol-3-yl diphenyl phosphate

Base Information

• Chemical Name: Benzo[d]isoxazol-3-yl diphenyl phosphate
• CAS No.: 94820-31-2
• Molecular Formula: C19H14 N O5 P
• Molecular Weight: 367.291921
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50369139
• Wikidata: Q82156174
• Mol file: 94820-31-2.mol

Synonyms:Benzo[d]isoxazol-3-yl diphenyl phosphate;94820-31-2;1,2-benzoxazol-3-yl diphenyl phosphate;1,2-benzisoxazol-3-yl diphenyl phosphate;BENZO[D]ISOXAZOL-3-YLDIPHENYLPHOSPHATE;SCHEMBL2441052;DTXSID50369139;GEO-00266;MFCD00067001;AKOS005254398;1,2-benzisoxazol-3-yl-diphenyl phosphate;W-200535

Chemical Property of Benzo[d]isoxazol-3-yl diphenyl phosphate

Chemical Property:

• Vapor Pressure: 3.86E-08mmHg at 25°C
• Melting Point: 64 °C
• Boiling Point: 458.1°Cat760mmHg
• Flash Point: 230.8°C
• PSA: 80.60000
• Density: 1.37g/cm³
• LogP: 5.47270
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 367.06095954
• Heavy Atom Count: 26
• Complexity: 468

Purity/Quality:

98%min ^*data from raw suppliers

1,2-BENZISOXAZOL-3-YL-DIPHENYL PHOSPHATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=NOC4=CC=CC=C43

Technology Process of Benzo[d]isoxazol-3-yl diphenyl phosphate

There total 1 articles about Benzo[d]isoxazol-3-yl diphenyl phosphate 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: 82.0%

chlorophosphoric acid diphenyl ester (2524-64-3) + 3-hydroxybenzisoxazole (21725-69-9) → 1,2-benzisoxazol-3-yl diphenyl phosphate (94820-31-2)

Guidance literature:

With triethylamine; In benzene; for 0.5h; Ambient temperature;

DOI:10.1021/jo00206a006

Reference yield: 98.0%

1,2-benzisoxazol-3-yl diphenyl phosphate (94820-31-2) + benzoic acid (65-85-0,8013-63-6) → 3-(benzoyloxy)-1,2-benzisoxazole (24603-53-0)

Guidance literature:

With triethylamine; In various solvent(s); for 2h; Ambient temperature;

DOI:10.1021/jo00206a006

upstream raw materials:

chlorophosphoric acid diphenyl ester

3-hydroxybenzisoxazole

Downstream raw materials:

3-(benzoyloxy)-1,2-benzisoxazole

Refernces