1,3-Benzoxazol-6-ol

Base Information

• Chemical Name: 1,3-Benzoxazol-6-ol
• CAS No.: 106050-81-1
• Molecular Formula: C7H5NO2
• Molecular Weight: 135.122
• Hs Code.: 2934999090
• European Community (EC) Number: 834-391-1
• ChEMBL ID: CHEMBL4555091
• DSSTox Substance ID: DTXSID70470695
• Wikidata: Q82298850
• Mol file: 106050-81-1.mol

Synonyms:1,3-benzoxazol-6-ol;106050-81-1;benzo[d]oxazol-6-ol;6-Benzoxazolol;6-hydroxybenzoxazole;Benzoxazol-6-ol;SCHEMBL926971;CHEMBL4555091;DTXSID70470695;SAHAKBXWZLDNAA-UHFFFAOYSA-N;AMY37223;AKOS022398469;CS-W000076;FT-0761569;D77541;EN300-124184

Chemical Property of 1,3-Benzoxazol-6-ol

Chemical Property:

• Melting Point: 179 °C
• Boiling Point: 270.0±13.0 °C(Predicted)
• PKA: 8.33±0.40(Predicted)
• PSA: 46.26000
• Density: 1.378±0.06 g/cm3(Predicted)
• LogP: 1.53340
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.2
• 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:

NLT 98% ^*data from raw suppliers

1,3-Benzoxazol-6-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1O)OC=N2

Technology Process of 1,3-Benzoxazol-6-ol

There total 12 articles about 1,3-Benzoxazol-6-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: 97.0%

→ 6-hydroxybenzoxazole (106050-81-1)

Guidance literature:

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

Reference yield: 92.0%

benzo[d]oxazol-6-ylboronic acid (1253912-47-8) → 6-hydroxybenzoxazole (106050-81-1)

Guidance literature:

With malonic acid dihydrazide; caesium carbonate; In water; at 80 ℃; for 12h;

Reference yield: 27.6%

6-methoxybenzoxazole (114980-26-6) → 6-hydroxybenzoxazole (106050-81-1)

Guidance literature:

With boron tribromide; In dichloromethane; at -70 - 20 ℃; for 16.5h; Inert atmosphere;

upstream raw materials:

benzoxazole

lead(IV) tetraacetate

benzoimidazole

4-aminoresorcinol hydrochloride

Downstream raw materials:

[3-(benzoxazol-6-yloxy)-propyl]-(7-benzyloxy-chroman-2-ylmethyl)amine

Refernces

• 1、 -. "A catalytic oxidation fragrant boron class compound preparing phenol method (by machine translation)". Paragraph 0073; 0109; 0110. . Retrieved 2017/08/08.
• 2、 -. "N-ALKYNYL-2-HETEROARYLOXYALKYLAMIDES FOR USE AS FUNGICIDES". Page 53-54. . Retrieved 2010/02/09.