2-Bromomethyl-6-methoxybenzothiazole

Base Information

• Chemical Name: 2-Bromomethyl-6-methoxybenzothiazole
• CAS No.: 110704-18-2
• Molecular Formula: C₉H₈BrNOS
• Molecular Weight: 258.139
• DSSTox Substance ID: DTXSID60443813
• Wikidata: Q82261770
• Mol file: 110704-18-2.mol

Synonyms:110704-18-2;2-(Bromomethyl)-6-methoxy-1,3-benzothiazole;2-Bromomethyl-6-methoxybenzothiazole;2-(BROMOMETHYL)-6-METHOXYBENZOTHIAZOLE;2-Bromomethyl-6-methoxy-benzothiazole;SCHEMBL7542512;DTXSID60443813;JMKZMQFJJMIETE-UHFFFAOYSA-N;EN300-263009

Chemical Property of 2-Bromomethyl-6-methoxybenzothiazole

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 256.95100
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

2-(Bromomethyl)-6-methoxy-1,3-benzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)N=C(S2)CBr

Technology Process of 2-Bromomethyl-6-methoxybenzothiazole

There total 2 articles about 2-Bromomethyl-6-methoxybenzothiazole 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:

4-acetaminophenol (103-90-2,8055-08-1) → 2-bromomethyl-6-methoxy-benzothiazole (110704-18-2)

Guidance literature:

In N-methyl-acetamide; mineral oil;

Reference yield:

6-methoxy-2-methylbenzothiazole (2941-72-2) → 2-bromomethyl-6-methoxy-benzothiazole (110704-18-2)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; for 14h; Heating; Irradiation;

DOI:10.1021/jm00105a018

Reference yield:

2-bromomethyl-6-methoxy-benzothiazole (110704-18-2) → 3-[3-tert-butylsulfanyl-1-(4-chloro-benzyl)-5-(6-methoxy-benzothiazol-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid

Guidance literature:

Multi-step reaction with 2 steps

1: Cs₂CO₃ / dimethylformamide; acetonitrile / 3 h / Ambient temperature

2: aq. LiOH / tetrahydrofuran; methanol / 3 h / Heating

With lithium hydroxide; caesium carbonate; In tetrahydrofuran; methanol; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/S0960-894X(99)00399-6

upstream raw materials:

6-methoxy-2-methylbenzothiazole

4-acetaminophenol