2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylaMino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-broMo-, 1,1-diMethylethyl ester

Base Information

• Chemical Name: 2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylaMino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-broMo-, 1,1-diMethylethyl ester
• CAS No.: 1235036-16-4
• Molecular Formula: C27H25BrN4O3S
• Molecular Weight: 565.49
• Mol file: 1235036-16-4.mol

Synonyms:2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylaMino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-broMo-, 1,1-diMethylethyl ester;tert-Butyl 6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-bromopicolinate;tert-butyl 6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-bromopyridine-2-carboxylate

Chemical Property of 2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylaMino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-broMo-, 1,1-diMethylethyl ester

Chemical Property:

• PKA: 8.88±0.70(Predicted)
• PSA: 116.15000
• Density: 1.472±0.06 g/cm3(Predicted)
• LogP: 6.67310
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-bromopicolinate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylaMino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-broMo-, 1,1-diMethylethyl ester

There total 2 articles about 2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylaMino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-broMo-, 1,1-diMethylethyl ester 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:

2-(tert-butoxycarbonyl)-1,2,3 ,4-tetrahydroisoquinoline-8-carboxylic acid (878798-87-9) → tert-butyl 6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-bromopicolinate (1235036-16-4)

Guidance literature:

Multi-step reaction with 3 steps

1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane

2: hydrogenchloride / dichloromethane; diethyl ether / 20 °C

3: caesium carbonate / N,N-dimethyl acetamide / 12 h / 120 °C

With hydrogenchloride; dmap; caesium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In diethyl ether; dichloromethane; N,N-dimethyl acetamide;

Reference yield:

3-bromo-6-chloropyridine-2-carboxylic acid (929000-66-8) → tert-butyl 6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-bromopicolinate (1235036-16-4)

Guidance literature:

Multi-step reaction with 2 steps

1: p-toluenesulfonyl chloride; pyridine / tert-butyl alcohol / 12 h / 0 - 20 °C

2: caesium carbonate / N,N-dimethyl acetamide / 12 h / 120 °C

With pyridine; caesium carbonate; p-toluenesulfonyl chloride; In N,N-dimethyl acetamide; tert-butyl alcohol;

Reference yield: 91.0%

tert-butyl 6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-bromopicolinate (1235036-16-4) + 4-phenoxybutylzinc bromide (737797-32-9) → C37H38N4O4S (1588534-91-1)

Guidance literature:

tert-butyl 6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-bromopicolinate; With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; In tetrahydrofuran; for 0.0833333h;

4-phenoxybutylzinc bromide; In tetrahydrofuran; for 28h;

DOI:10.1021/ml500030p

upstream raw materials:

3-bromo-6-chloropyridine-2-carboxylic acid

2-(tert-butoxycarbonyl)-1,2,3 ,4-tetrahydroisoquinoline-8-carboxylic acid

Downstream raw materials:

tert-butyl 6-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(lH)-yl)-3-(3-phenoxyprop-1-ynyl)picolinate

tert-butyl 6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(4-methyl-3-phenoxyphenyl)picolinate

6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-3-[3-(cyclohexylmethoxy)-2-methylphenyl]pyridine-2-carboxylic acid tert-butyl ester

6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-3-(1-benzyl-1H-1,2,3-triazol-4-yl)pyridine-2-carboxylic acid

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