3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}benzoic acid

Base Information

• Chemical Name: 3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}benzoic acid
• CAS No.: 1055307-02-2
• Molecular Formula: C₂₃H₂₃F₂N₃O₆S
• Molecular Weight: 507.515

Synonyms:3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}benzoic acid

Chemical Property of 3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}benzoic acid

Chemical Property:

Purity/Quality:

Safty Information:

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• Hazard Codes: 

MSDS Files:

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Technology Process of 3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}benzoic acid

There total 15 articles about 3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}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: 99.0%

benzyl 3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}benzoate (1055307-01-1) → 3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}benzoic acid (1055307-02-2)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; for 1h;

Reference yield:

3-(4,4-difluoro-3-methylidene-3,4-dihydro-2H-pyrrol-5-yl)-2-fluoropyridine → 3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}benzoic acid (1055307-02-2)

Guidance literature:

Multi-step reaction with 7 steps

1.1: sodium hydride / tetrahydrofuran / 18 h / 0 - 60 °C

1.2: 1 h / 0 °C

2.1: sodium hydride / tetrahydrofuran / 0.17 h / 0 °C

2.2: 0.17 h / 0 °C

2.3: 0.25 h / 0 °C

3.1: carbonochloridic acid 1-chloro-ethyl ester / tetrahydrofuran / 0.25 h / 0 °C

3.2: 16 h / 65 °C

3.3: 0.17 h / 20 °C

4.1: tetrahydrofuran / 0.08 h / 20 °C

5.1: sodium hydroxide; water; isopropyl alcohol / tetrahydrofuran / 18 h / 0 - 20 °C

6.1: 15-crown-5; sodium hydride / tetrahydrofuran / 1 h / 0 °C

7.1: hydrogen / palladium 10% on activated carbon / ethanol / 1 h

With sodium hydroxide; 15-crown-5; carbonochloridic acid 1-chloro-ethyl ester; water; hydrogen; sodium hydride; isopropyl alcohol; palladium 10% on activated carbon; In tetrahydrofuran; ethanol;

Reference yield:

tert-butyl 3,3-difluoro-4-methylidene-2-oxopyrrolidine-1-carboxylate (1055306-64-3) → 3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}benzoic acid (1055307-02-2)

Guidance literature:

Multi-step reaction with 9 steps

1.1: n-butyllithium; diisopropylamine / tetrahydrofuran; hexane / 2.75 h / -78 °C

1.2: 3 h / -78 °C

2.1: hydrogenchloride; water; acetic acid / 1 h / 20 °C

3.1: sodium hydride / tetrahydrofuran / 18 h / 0 - 60 °C

3.2: 1 h / 0 °C

4.1: sodium hydride / tetrahydrofuran / 0.17 h / 0 °C

4.2: 0.17 h / 0 °C

4.3: 0.25 h / 0 °C

5.1: carbonochloridic acid 1-chloro-ethyl ester / tetrahydrofuran / 0.25 h / 0 °C

5.2: 16 h / 65 °C

5.3: 0.17 h / 20 °C

6.1: tetrahydrofuran / 0.08 h / 20 °C

7.1: sodium hydroxide; water; isopropyl alcohol / tetrahydrofuran / 18 h / 0 - 20 °C

8.1: 15-crown-5; sodium hydride / tetrahydrofuran / 1 h / 0 °C

9.1: hydrogen / palladium 10% on activated carbon / ethanol / 1 h

With hydrogenchloride; sodium hydroxide; n-butyllithium; 15-crown-5; carbonochloridic acid 1-chloro-ethyl ester; water; hydrogen; sodium hydride; acetic acid; diisopropylamine; isopropyl alcohol; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; hexane;

upstream raw materials:

benzyl 3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}benzoate

tert-butyl 3,3-difluoro-4-methylidene-2-oxopyrrolidine-1-carboxylate

tert-butyl (4RS)-4-(bromomethyl)-3,3-difluoro-2-oxopyrrolidine-1-carboxylate

tert-butyl [bromo(difluoro)acetyl]prop-2-en-1-ylcarbamate

Downstream raw materials:

tert-butyl ({4-fluoro-5-(2-fluoropyridin-3-yl)-1-[(3-{[(2-hydroxyethyl)amino]carbonyl}phenyl)sulfonyl]-1H-pyrrol-3-yl}methyl)methylcarbamate

tert-butyl [(4-fluoro-5-(2-fluoropyridin-3-yl)-1-{[3-(hydroxymethyl)phenyl]sulfonyl}-1H-pyrrol-3-yl)methyl]methylcarbamate

tert-butyl {[1-{[3-(chloromethyl)phenyl]sulfonyl}-4-fluoro-5-(2-fluoropyridin-3-yl)-1H-pyrrol-3-yl]methyl}methylcarbamate

tert-butyl {[4-fluoro-5-(2-fluoropyridin-3-yl)-1-({3-[(methylthio)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate

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