6-bromo-3-methyl-1,3-benzothiazol-2(3H)-imine

Base Information

• Chemical Name: 6-bromo-3-methyl-1,3-benzothiazol-2(3H)-imine
• CAS No.: 73901-11-8
• Molecular Formula: C₈H₇BrN₂S
• Molecular Weight: 243.127
• DSSTox Substance ID: DTXSID40365923
• Wikidata: Q82150964
• Mol file: 73901-11-8.mol

Synonyms:73901-11-8;6-bromo-3-methyl-1,3-benzothiazol-2(3H)-imine;6-bromo-3-methylbenzo[d]thiazol-2(3H)-imine;6-bromo-3-methyl-1,3-benzothiazol-2-imine;6-Bromo-3-methyl-3H-benzothiazol-2-ylideneamine;2(3H)-Benzothiazolimine,6-bromo-3-methyl-;DTXSID40365923;MFCD03030142;AKOS015993085;5X-0941;6-bromo-3-methyl-2,3-dihydro-1,3-benzothiazol-2-imine;F1386-0367

Chemical Property of 6-bromo-3-methyl-1,3-benzothiazol-2(3H)-imine

Chemical Property:

• Melting Point: 110 °C
• Boiling Point: 322.0±44.0 °C(Predicted)
• PKA: 4.42±0.20(Predicted)
• PSA: 57.02000
• Density: 1.76±0.1 g/cm3(Predicted)
• LogP: 2.58150
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 241.95133
• Heavy Atom Count: 12
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

6-BROMO-3-METHYL-3H-BENZOTHIAZOL-2-YLIDENEAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)Br)SC1=N

Technology Process of 6-bromo-3-methyl-1,3-benzothiazol-2(3H)-imine

There total 4 articles about 6-bromo-3-methyl-1,3-benzothiazol-2(3H)-imine 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: 63.0%

2-amino-6-bromobenzothiazole (15864-32-1) + methyl iodide (74-88-4) → 6-bromo-3-methyl-3H-benzothiazol-2-ylideneamine (73901-11-8)

Guidance literature:

In ethanol; for 15h; Heating;

DOI:10.1002/jhet.5570180425

Reference yield:

4-bromo-aniline (106-40-1) → 6-bromo-3-methyl-3H-benzothiazol-2-ylideneamine (73901-11-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / bromine / acetic acid / 0.5 h / 10 °C

2: 63 percent / ethanol / 15 h / Heating

With bromine; In ethanol; acetic acid;

DOI:10.1002/jhet.5570180425

Reference yield:

2-amino-6-bromobenzothiazole (15864-32-1) + dimethyl sulfate (77-78-1) → 6-bromo-N-methyl-1,3-benzothiazol-2-amine (75104-92-6) + 6-bromo-3-methyl-3H-benzothiazol-2-ylideneamine (73901-11-8)

Guidance literature:

With sodium ethanolate;

upstream raw materials:

2-amino-6-bromobenzothiazole

dimethyl sulfate

methyl iodide

4-bromo-aniline

Downstream raw materials:

[4-Bromo-2-(2-chloro-4-nitro-phenylsulfanyl)-phenyl]-methyl-amine

5-bromo-2-methylamino-thiophenol

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