6-bromo-1-methyl-1H-benzo[d][1,2,3]triazole

Base Information

• Chemical Name: 6-bromo-1-methyl-1H-benzo[d][1,2,3]triazole
• CAS No.: 1083181-43-4
• Molecular Formula: C7H6BrN3
• Molecular Weight: 212.049
• Hs Code.: 2933990090
• European Community (EC) Number: 874-927-1
• Mol file: 1083181-43-4.mol

Synonyms:6-bromo-1-methyl-1H-benzo[d][1,2,3]triazole;1083181-43-4;944718-32-5;6-bromo-1-methylbenzotriazole;MFCD11559050;6-bromo-1-methyl-1h-benzo(d)(1,2,3)Triazole;6-bromo-1-methyl-1H-1,2,3-benzotriazole;SCHEMBL1161406;GPKHIVIGTSWNRM-UHFFFAOYSA-N;AKOS015904600;CS-W018841;DS-14251;SY113390;FT-0699248;EN300-761588;6-Bromo-1-methyl-1H-benzo[d][1,2,3] triazole;A895272

Chemical Property of 6-bromo-1-methyl-1H-benzo[d][1,2,3]triazole

Chemical Property:

• Boiling Point: 332.6±15.0 °C(Predicted)
• PKA: 0.36±0.30(Predicted)
• PSA: 30.71000
• Density: 1.76±0.1 g/cm3(Predicted)
• LogP: 1.73080
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 210.97451
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

NLT 98% ^*data from raw suppliers

6-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=CC(=C2)Br)N=N1

Technology Process of 6-bromo-1-methyl-1H-benzo[d][1,2,3]triazole

There total 3 articles about 6-bromo-1-methyl-1H-benzo[d][1,2,3]triazole 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: 29.0%

5-bromo-1H-benzotriazole (32046-62-1) + methyl iodide (74-88-4) → 6-bromo-1-methyl-1H-1,2,3-benzotriazole (1083181-43-4) + 5-bromo-1-methyl-1H-benzo[d][1,2,3]triazole (944718-31-4)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; at 20 ℃; for 48.25h; Inert atmosphere; Cooling with ice;

Reference yield: 25.0%

methyl iodide (74-88-4) → 5-bromo-2-methyl-2H-1,2,3-benzotriazole (191230-40-7) + 6-bromo-1-methyl-1H-1,2,3-benzotriazole (1083181-43-4) + 5-bromo-1-methyl-1H-benzo[d][1,2,3]triazole (944718-31-4)

Guidance literature:

5-bromo-1H-benzotriazole; With sodium methylate; In tetrahydrofuran; for 0.5h;

methyl iodide; In tetrahydrofuran; at 20 ℃; for 4h;

Reference yield:

4-bromo-2-fluoronitrobenzene (321-23-3) → 6-bromo-1-methyl-1H-1,2,3-benzotriazole (1083181-43-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetonitrile; ethanol / 4 h / 20 °C

2.1: ethanol; tin(ll) chloride / 3.5 h / Reflux

2.2: pH 8

3.1: sodium nitrite; hydrogen bromide / water / 4.5 h / 0 - 20 °C

With ethanol; hydrogen bromide; tin(ll) chloride; sodium nitrite; In ethanol; water; acetonitrile;

upstream raw materials:

methyl iodide

4-bromo-2-fluoronitrobenzene

5-bromo-1H-benzotriazole

Downstream raw materials:

1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d][1,2,3]triazole

1-methyl-1H-benzotriazole-6-carboxaldehyde

Refernces

• 1、 -. "SUBSTITUTED QUINOXALINE DERIVATIVES". Page/Page column 253; 254. . Retrieved 2016/11/28.
• 2、 -. "HYDANTOIN DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISORDERS". Page/Page column 167. . Retrieved 2008/06/13.