Benzooxazol-4-ol

Base Information

• Chemical Name: Benzooxazol-4-ol
• CAS No.: 89590-22-7
• Molecular Formula: C7H5 N O2
• Molecular Weight: 135.12
• Hs Code.: 2934999090
• European Community (EC) Number: 848-147-7
• DSSTox Substance ID: DTXSID70547593
• Nikkaji Number: J1.926.249I
• Wikidata: Q82425898
• Mol file: 89590-22-7.mol

Synonyms:benzooxazol-4-ol;89590-22-7;1,3-benzoxazol-4-ol;4-Benzoxazolol;benzo[d]oxazol-4-ol;4-Hydroxybenzoxazole;MFCD06795900;4-Hydroxy-benzoxazol;benzooxazol-4-ol, AldrichCPR;SCHEMBL646093;DTXSID70547593;AKOS006292890;AS-56797;SY274445;AM20041349;CS-0029720;F17479;EN300-6740254;Z1198170499

Chemical Property of Benzooxazol-4-ol

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.664
• Boiling Point: 269.951°C at 760 mmHg
• Flash Point: 117.062°C
• PSA: 46.26000
• Density: 1.379g/cm³
• LogP: 1.53340
• Storage Temp.: Sealed in dry,Room Temperature
• 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-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1)OC=N2)O

Technology Process of Benzooxazol-4-ol

There total 7 articles about Benzooxazol-4-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: 88.0%

2-aminoresorcinol (3163-15-3) + orthoformic acid triethyl ester (122-51-0) → 4-Hydroxybenzoxazole (89590-22-7)

Guidance literature:

With sulfuric acid; In ethanol; for 2h; Reflux;

Reference yield: 81.0%

Methyl formate (107-31-3) + 2-aminoresorcinol (3163-15-3) → 4-Hydroxybenzoxazole (89590-22-7)

Guidance literature:

at 130 ℃; for 2h;

Reference yield:

2-aminoresorcinol (3163-15-3) + trimethyl orthoformate (149-73-5) → 4-Hydroxybenzoxazole (89590-22-7)

Guidance literature:

With sulfuric acid; at 130 ℃; Inert atmosphere;

upstream raw materials:

2-aminoresorcinol

orthoformic acid triethyl ester

formic acid

formamide

Downstream raw materials:

2,6-bis(trimethylsiloxy)phenyl isocyanide

7-benzoxazoyl 4-methoxycarbanilate

4-Methoxybenzoxazole

C₂₀H₁₆BrN₃O₄