2-(4-NITRO-BENZYLSULFANYL)-BENZOOXAZOLE

Base Information

• Chemical Name: 2-(4-NITRO-BENZYLSULFANYL)-BENZOOXAZOLE
• CAS No.: 100537-64-2
• Molecular Formula: C14H10N2O3S
• Molecular Weight: 286.30600
• Mol file: 100537-64-2.mol

Synonyms:F0016-0064;

Chemical Property of 2-(4-NITRO-BENZYLSULFANYL)-BENZOOXAZOLE

Chemical Property:

• PSA: 97.15000
• LogP: 4.55150

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-NITRO-BENZYLSULFANYL)-BENZOOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-NITRO-BENZYLSULFANYL)-BENZOOXAZOLE

There total 8 articles about 2-(4-NITRO-BENZYLSULFANYL)-BENZOOXAZOLE 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%

2-sulfanyl-1,3-benzoxazole (2382-96-9,118090-08-7) → S-(p-nitrobenzyl)-2-mercaptobenzoxazole (100537-64-2)

Guidance literature:

2-sulfanyl-1,3-benzoxazole; With ethanol; sodium; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h; Inert atmosphere;

4-nitrobenzyl halide; In ethanol; N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2008.06.027

Reference yield: 90.0%

2-sulfanyl-1,3-benzoxazole (2382-96-9,118090-08-7) + 1-bromomethyl-4-nitro-benzene (100-11-8) → S-(p-nitrobenzyl)-2-mercaptobenzoxazole (100537-64-2)

Guidance literature:

With cesium fluoride; In acetonitrile; at 82 ℃;

DOI:10.1016/S0040-4039(02)02028-2 DOI:10.1007/s00706-005-0351-6

Reference yield: 87.0%

2-amino-phenol (95-55-6) + 1-bromomethyl-4-nitro-benzene (100-11-8) → S-(p-nitrobenzyl)-2-mercaptobenzoxazole (100537-64-2)

Guidance literature:

2-amino-phenol; With Thiram; In water; at 120 ℃; Green chemistry;

1-bromomethyl-4-nitro-benzene; With potassium carbonate; In water; at 80 ℃; for 1h; Green chemistry;

DOI:10.1021/acs.joc.8b02136

upstream raw materials:

2-sulfanyl-1,3-benzoxazole

1-bromomethyl-4-nitro-benzene

benzo[d]oxazole-2-(3H)-thione

4-nitrobenzyl chloride

Refernces

• 1、 Koci, Jan,Klimesova, Vera,Waisser, Karel,Kaustova, Jarmila,Dahse, Hans-Martin,Moellmann, Ute. "Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.". . p. 3275 - 3278. Retrieved 2002.
• 2、 Wang, Xi,Wu, Chun-Yan,Li, Yue-Sheng,Dong, Zhi-Bing. "Three-Component Synthesis of 2-Substituted Thiobenzoazoles Using Tetramethyl Thiuram Monosulfide (TMTM) as Thiocarbonyl Surrogate". . p. 6770 - 6775. Retrieved 2020.
• 3、 Ballari, María Sol,Herrera Cano, Natividad,Lopez, Abel Gerardo,Wunderlin, Daniel Alberto,Feresín, Gabriela Egly,Santiago, Ana Noemí. "Green Synthesis of Potential Antifungal Agents: 2-Benzyl Substituted Thiobenzoazoles". . p. 10325 - 10331. Retrieved 2017/12/06.