5-(BROMOMETHYL)-2,1,3-BENZOTHIADIAZOLE

Base Information

• Chemical Name: 5-(BROMOMETHYL)-2,1,3-BENZOTHIADIAZOLE
• CAS No.: 65858-50-6
• Molecular Formula: C7H5 Br N2 S
• Molecular Weight: 229.1
• Hs Code.: 2934999090
• Mol file: 65858-50-6.mol

Synonyms:5-(Bromomethyl)benzo-2,1,3-thiadiazole;5-(Bromomethyl)benzo[c][1,2,5]thiadiazole; 5-Bromomethylbenzo[1,2,5]thiadiazole

Chemical Property of 5-(BROMOMETHYL)-2,1,3-BENZOTHIADIAZOLE

Chemical Property:

• Vapor Pressure: 0.00214mmHg at 25°C
• Melting Point: 91oC
• Boiling Point: 299.3oC at 760 mmHg
• PKA: -0.29±0.36(Predicted)
• Flash Point: 134.8oC
• PSA: 54.02000
• Density: 1.776g/cm3
• LogP: 2.58620

Purity/Quality:

98%min ^*data from raw suppliers

5-(Bromomethyl)-2,1,3-benzothiadiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(BROMOMETHYL)-2,1,3-BENZOTHIADIAZOLE

There total 7 articles about 5-(BROMOMETHYL)-2,1,3-BENZOTHIADIAZOLE 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: 84.0%

5-methylbenzo[c][1,2,5]thiadiazole (1457-93-8) → 5-bromomethyl-benzo[1,2,5]thiadiazole (65858-50-6)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 20h; Reflux;

DOI:10.1016/j.bmc.2015.01.003

Reference yield:

5-methylbenzo[c][1,2,5]thiadiazole (1457-93-8) + azobisisobutyronitrile (34241-39-9) → 5-bromomethyl-benzo[1,2,5]thiadiazole (65858-50-6)

Guidance literature:

With N-Bromosuccinimide; In chloroform;

Reference yield:

4-methyl-1,2-diaminobenzene (496-72-0) → 5-bromomethyl-benzo[1,2,5]thiadiazole (65858-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; thionyl chloride / benzene / 3 h / 0 °C / Reflux

2: dibenzoyl peroxide; N-Bromosuccinimide / tetrachloromethane / 20 h / Reflux

With N-Bromosuccinimide; thionyl chloride; triethylamine; dibenzoyl peroxide; In tetrachloromethane; benzene;

DOI:10.1016/j.bmc.2015.01.003

upstream raw materials:

5-methylbenzo[c][1,2,5]thiadiazole

azobisisobutyronitrile

4-Methylacetanilide

p-toluidine

Downstream raw materials:

C-benzo[1,2,5]thiadiazol-5-yl-methylamine; hydrochloride

Refernces

• 1、 -. "N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME". Page/Page column 205. . Retrieved 2021/02/12.
• 2、 Chen, Tianfeng,Chen, Zhen,Feng, Pengju,Hou, Liyuan,Huang, Wei,Li, Yiqun. "Adjusting the lipid-water distribution coefficient of iridium(iii) complexes to enhance the cellular penetration and treatment efficacy to antagonize cisplatin resistance in cervical cancer". supporting information. p. 11556 - 11564. Retrieved 2020/09/07.