6-Benzothiazolecarboxylicacid,2-amino-4-methyl-,methylester(9CI)

Base Information

• Chemical Name: 6-Benzothiazolecarboxylicacid,2-amino-4-methyl-,methylester(9CI)
• CAS No.: 225525-63-3
• Molecular Formula: C₁₀H₁₀N₂O₂S
• Molecular Weight: 222.268
• Mol file: 225525-63-3.mol

Synonyms:6-Benzothiazolecarboxylicacid,2-amino-4-methyl-,methylester(9CI)

Chemical Property of 6-Benzothiazolecarboxylicacid,2-amino-4-methyl-,methylester(9CI)

Chemical Property:

• Boiling Point: 397.4±34.0 °C(Predicted)
• PKA: 3.29±0.10(Predicted)
• PSA: 93.45000
• Density: 1.366±0.06 g/cm3(Predicted)
• LogP: 2.55470

Purity/Quality:

99%, ^*data from raw suppliers

methyl2-amino-4-methyl-1,3-benzothiazole-6-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-Benzothiazolecarboxylicacid,2-amino-4-methyl-,methylester(9CI)

There total 2 articles about 6-Benzothiazolecarboxylicacid,2-amino-4-methyl-,methylester(9CI) 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: 62.0%

methyl 4-amino-3-methylbenzoate (18595-14-7) + sodium thiocyanide (540-72-7) → methyl 2-amino-4-methyl-1,3-benzothiazole-6-carboxylate (225525-63-3)

Guidance literature:

With bromine; acetic acid; at 0 - 30 ℃; for 49h;

DOI:10.1021/acs.jmedchem.7b00907

Reference yield:

methyl 4-amino-3-methylbenzoate (18595-14-7) + potassium thioacyanate (333-20-0) → methyl 2-amino-4-methyl-1,3-benzothiazole-6-carboxylate (225525-63-3)

Guidance literature:

With bromine; acetic acid; at 25 ℃; for 10h;

Reference yield:

methyl 2-amino-4-methyl-1,3-benzothiazole-6-carboxylate (225525-63-3) → methyl 2-(3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)-4-methylbenzo[d]thiazole-6-carboxylate (1383818-47-0)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(I) bromide dimethylsulfide complex; tert.-butylnitrite / acetonitrile / 3.78 h / 0 - 45 °C / Inert atmosphere

2: caesium carbonate / N,N-dimethyl acetamide / 1 h / 60 °C

With tert.-butylnitrite; copper(I) bromide dimethylsulfide complex; caesium carbonate; In N,N-dimethyl acetamide; acetonitrile; 1: |Sandmeyer Reaction;

DOI:10.1021/acs.jmedchem.7b00907

upstream raw materials:

methyl 4-amino-3-methylbenzoate

sodium thiocyanide

potassium thioacyanate

Downstream raw materials:

methyl 2-(3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)-4-methylbenzo[d]thiazole-6-carboxylate

2-(3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)-4-methylbenzo[d]thiazole-6-carboxylic acid

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