2,1,3-Benzoxadiazol-5-ylmethanol

Base Information

• Chemical Name: 2,1,3-Benzoxadiazol-5-ylmethanol
• CAS No.: 59660-56-9
• Molecular Formula: C7H6N2O2
• Molecular Weight: 150.137
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00379965
• Wikidata: Q82169988
• Mol file: 59660-56-9.mol

Synonyms:2,1,3-benzoxadiazol-5-ylmethanol;59660-56-9;benzo[c][1,2,5]oxadiazol-5-ylmethanol;(2,1,3-Benzoxadiazol-5-yl)methanol;1,2,3-BENZOXADIAZOL-5-YLMETHANOL;5-Benzofurazanmethanol;SCHEMBL8913108;DTXSID00379965;HSIHJRXNWRCVOM-UHFFFAOYSA-N;MFCD02682028;AKOS006228840;SDCCGMLS-0065950.P001;CS-0260559;FT-0609005;F88038;EN300-7542481;J-506699

Chemical Property of 2,1,3-Benzoxadiazol-5-ylmethanol

Chemical Property:

• Vapor Pressure: 0.00051mmHg at 25°C
• Melting Point: 66 °C
• Refractive Index: 1.653
• Boiling Point: 300.1 °C at 760 mmHg
• Flash Point: 135.3 °C
• PSA: 59.15000
• Density: 1.408 g/cm³
• LogP: 0.71510
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 150.042927438
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

98%Min ^*data from raw suppliers

2,1,3-benzoxadiazol-5-ylmethanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NON=C2C=C1CO

Technology Process of 2,1,3-Benzoxadiazol-5-ylmethanol

There total 11 articles about 2,1,3-Benzoxadiazol-5-ylmethanol 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: 99.0%

5-formylbenzofurazan (32863-33-5) → benzo[c][1,2,5]oxadiazol-5-ylmethanol (59660-56-9)

Guidance literature:

With methanol; sodium tetrahydroborate; In tetrahydrofuran; for 1h; Cooling with ice;

Reference yield: 90.0%

6-(hydroxymethyl)benzo<1,2-c>1,2,5-oxadiazole N1-oxide (229322-23-0) → benzo[c][1,2,5]oxadiazol-5-ylmethanol (59660-56-9)

Guidance literature:

With triphenylphosphine; In ethanol; for 2h; Heating; Reflux;

Reference yield: 74.0%

5-(bromomethyl)benzofurazan (32863-31-3) → benzo[c][1,2,5]oxadiazol-5-ylmethanol (59660-56-9)

Guidance literature:

With water; calcium carbonate; In 1,4-dioxane; for 3h; Heating;

DOI:10.1016/S0223-5234(96)80001-8

upstream raw materials:

5-(bromomethyl)benzofurazan

5-formylbenzo[c][1,2,5]oxadiazole 1-oxide

6-(hydroxymethyl)benzo<1,2-c>1,2,5-oxadiazole N₁-oxide

4-chlorobenzaldehyde

Downstream raw materials:

5-(bromomethyl)benzofurazan

5-formylbenzofurazan

Refernces

• 1、 -. "Biphenyl compound as well as preparation method and medical application thereof". . . Retrieved 2020/11/22.
• 2、 -. "PYROLLIDINE-BASED COMPOUNDS". Page/Page column 24-25. . Retrieved 2009/08/16.