5-CHLORO-2,1,3-BENZOXADIAZOLE

Base Information

• Chemical Name: 5-CHLORO-2,1,3-BENZOXADIAZOLE
• CAS No.: 19155-86-3
• Molecular Formula: C6H3 Cl N2 O
• Molecular Weight: 154.556
• Hs Code.: 2934999090
• Mol file: 19155-86-3.mol

Synonyms:Benzofurazan,5-chloro- (7CI,8CI); 5-Chloro-2,1,3-Benzoxadiazole;5-Chlorobenzo[1,2,5]oxadiazole; 5-Chlorobenzofurazan

Chemical Property of 5-CHLORO-2,1,3-BENZOXADIAZOLE

Chemical Property:

• Melting Point: 38-42 °C
• Boiling Point: 60-80 °C20 mm Hg
• Flash Point: 127.4°C
• PSA: 38.92000
• Density: 1.69g/cm³
• LogP: 1.87620

Purity/Quality:

98%min ^*data from raw suppliers

5-Chlorobenzofurazan ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-CHLORO-2,1,3-BENZOXADIAZOLE

There total 11 articles about 5-CHLORO-2,1,3-BENZOXADIAZOLE 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: 71.0%

6-chlorobenzo[c][1,2,5]oxadiazole 1-oxide (39060-31-6) → 5-chloro-2-nitroaniline (1635-61-6) + 5-chlorobenzo[c][1,2,5]oxadiazole (19155-86-3)

Guidance literature:

With 2,3-dimethyl-2,3-butane diol; bis(N,N-dimethylformamide)dichloridodioxidomolybdenum(VI); In N,N-dimethyl acetamide; at 120 ℃; for 0.416667h; chemoselective reaction; Microwave irradiation; Sealed tube; Green chemistry;

DOI:10.1002/adsc.201700071

Reference yield: 61.0%

6-chlorobenzo[c][1,2,5]oxadiazole 1-oxide (39060-31-6) → 5-chlorobenzo[c][1,2,5]oxadiazole (19155-86-3)

Guidance literature:

With sulfur; sodium hydroxide; In methanol; water; at 80 ℃; for 3h; Green chemistry;

DOI:10.1002/ejoc.202000064

Reference yield: 17.0%

5-chlorobenzofurazan-1-oxide (17348-69-5) + sodium formanilide (613-99-0) → 5-chloro-2-phenyl-2H-benzotriazole 1-oxide (91331-37-2) + 5-chlorobenzo[c][1,2,5]oxadiazole (19155-86-3) + aniline (62-53-3) + 6-chloro-2-phenyl-2H-benzotriazole 1-oxide (91331-38-3) + Formanilid (103-70-8)

Guidance literature:

In toluene; for 5h; Heating;

upstream raw materials:

4-chloro-1,2-quinone dioxime

5-chlorobenzofurazan-1-oxide

sodium formanilide

6-chlorobenzo[c][1,2,5]oxadiazole 1-oxide

Downstream raw materials:

4-nitro-7-(phenylthio)benzo[c][1,2,5]oxadiazole

N-acetyl-O-(7-nitro-benzo[1,2,5]oxadiazol-4-yl)-tyrosine ethyl ester

N-benzyl-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine

7-nitro-N-phenylbenzo[c][1,2,5]oxadiazol-4-amine

Refernces

• 1、 Cerecetto, Hugo,Romero, Angel H.. "A Common, Facile and Eco-Friendly Method for the Reduction of Nitroarenes, Selective Reduction of Poly-Nitroarenes and Deoxygenation of N-Oxide Containing Heteroarenes Using Elemental Sulfur". supporting information. . Retrieved 2020/03/23.
• 2、 Rubio-Presa, Rubén,Fernández-Rodríguez, Manuel A.,Pedrosa, María R.,Arnáiz, Francisco J.,Sanz, Roberto. "Molybdenum-Catalyzed Deoxygenation of Heteroaromatic N-Oxides and Hydroxides using Pinacol as Reducing Agent". supporting information. p. 1752 - 1757. Retrieved 2017/05/22.