3-chloro-4-[1-methyl-3-(2-pyridyl)-4,6,7,8-tetrahydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid

Base Information

Chemical Name:3-chloro-4-[1-methyl-3-(2-pyridyl)-4,6,7,8-tetrahydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid
CAS No.:1616359-64-8
Molecular Formula:C₁₉H₁₇ClN₄O₂S
Molecular Weight:400.889
Hs Code.:

Synonyms:3-chloro-4-[1-methyl-3-(2-pyridyl)-4,6,7,8-tetrahydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid

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Chemical Property of 3-chloro-4-[1-methyl-3-(2-pyridyl)-4,6,7,8-tetrahydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid

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Technology Process of 3-chloro-4-[1-methyl-3-(2-pyridyl)-4,6,7,8-tetrahydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid

There total 6 articles about 3-chloro-4-[1-methyl-3-(2-pyridyl)-4,6,7,8-tetrahydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid 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: 27.0%

: 1616359-65-9
methyl 3-chloro-4-[1-methyl-3-(2-pyridyl)-4,6,7,8-tetrahydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate

: 1616359-64-8
3-chloro-4-[1-methyl-3-(2-pyridyl)-4,6,7,8-tetrahydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid

Guidance literature:: With water; sodium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 18h;

Reference yield:

: 92406-50-3
1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-amine

: 1616359-64-8
3-chloro-4-[1-methyl-3-(2-pyridyl)-4,6,7,8-tetrahydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: acetonitrile / 0.33 h / 150 °C / Microwave irradiation

2: borane-THF / tetrahydrofuran / 2 h / Reflux

3: molybdenum hexacarbonyl; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol; acetonitrile / 1 h / 100 °C / Sealed tube; Microwave irradiation

4: sodium hydroxide; water / methanol; tetrahydrofuran / 18 h / 20 °C

With borane-THF; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); water; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; molybdenum hexacarbonyl; In tetrahydrofuran; methanol; acetonitrile;

Reference yield:

: 1616360-05-4
4-(4-bromo-2-chlorophenyl)-1-methyl-3-(2-pyridyl)-4,6,7,8-tetrahydropyrazolo[3,4-e][1,4]thiazepine

: 1616359-64-8
3-chloro-4-[1-methyl-3-(2-pyridyl)-4,6,7,8-tetrahydropyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: molybdenum hexacarbonyl; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol; acetonitrile / 1 h / 100 °C / Sealed tube; Microwave irradiation

2: sodium hydroxide; water / methanol; tetrahydrofuran / 18 h / 20 °C

With trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); water; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; molybdenum hexacarbonyl; In tetrahydrofuran; methanol; acetonitrile;