1,3-Benzoxazol-7-ol

Base Information

• Chemical Name: 1,3-Benzoxazol-7-ol
• CAS No.: 94242-04-3
• Molecular Formula: C₇H₅NO₂
• Molecular Weight: 135.122
• European Community (EC) Number: 848-148-2
• Mol file: 94242-04-3.mol

Synonyms:1,3-benzoxazol-7-ol;Benzo[d]oxazol-7-ol;94242-04-3;7-Benzoxazolol;7-Hydroxybenzoxazole;SCHEMBL1040723;SOQJEEOOJYUDGY-UHFFFAOYSA-N;MFCD16657804;AKOS023556536;DB-180458;CS-0458880;EN300-99111;G73707;Z1255385602

Chemical Property of 1,3-Benzoxazol-7-ol

Chemical Property:

• Boiling Point: 270.0±13.0 °C(Predicted)
• PKA: 7.75±0.40(Predicted)
• PSA: 46.26000
• Density: 1.378±0.06 g/cm3(Predicted)
• LogP: 1.53340
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.032028402
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

1,3-benzoxazol-7-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)O)OC=N2

Technology Process of 1,3-Benzoxazol-7-ol

There total 2 articles about 1,3-Benzoxazol-7-ol 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%

→ 7-hydroxybenzoxazole (94242-04-3)

Guidance literature:

With caesium carbonate; In water; for 0.166667h; Microwave irradiation;

Reference yield:

1,2-dihydroxy-3-aminobenzene (20734-66-1) + orthoformic acid triethyl ester (122-51-0) → 7-hydroxybenzoxazole (94242-04-3)

Guidance literature:

With sulfuric acid;

upstream raw materials:

1,2-dihydroxy-3-aminobenzene

orthoformic acid triethyl ester