1-{(3-chloro-4-fluoro-benzyl)-[2-(7-methanesulfonylmethyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-1H-pyrrole-2-carboxylic acid allyl ester

Base Information

Chemical Name:1-{(3-chloro-4-fluoro-benzyl)-[2-(7-methanesulfonylmethyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-1H-pyrrole-2-carboxylic acid allyl ester
CAS No.:1000313-22-3
Molecular Formula:C₂₅H₂₃ClFN₅O₇S₂
Molecular Weight:624.07
Hs Code.:

1-{(3-chloro-4-fluoro-benzyl)-[2-(7-methanesulfonylmethyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-1H-pyrrole-2-carboxylic acid allyl ester

Synonyms:1-{(3-chloro-4-fluoro-benzyl)-[2-(7-methanesulfonylmethyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-1H-pyrrole-2-carboxylic acid allyl ester

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Chemical Property of 1-{(3-chloro-4-fluoro-benzyl)-[2-(7-methanesulfonylmethyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-1H-pyrrole-2-carboxylic acid allyl ester

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Technology Process of 1-{(3-chloro-4-fluoro-benzyl)-[2-(7-methanesulfonylmethyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-1H-pyrrole-2-carboxylic acid allyl ester

There total 19 articles about 1-{(3-chloro-4-fluoro-benzyl)-[2-(7-methanesulfonylmethyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-1H-pyrrole-2-carboxylic acid allyl 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:

: 100-00-5
4-chlorobenzonitrile

: 1000313-22-3
1-{(3-chloro-4-fluoro-benzyl)-[2-(7-methanesulfonylmethyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-1H-pyrrole-2-carboxylic acid allyl ester

Guidance literature:: Multi-step reaction with 8 steps

1.1: 100 h / 120 °C

2.1: ammonia / water / 18 h / 25 °C

3.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 16 h / 55 °C

4.1: hydrogen / 5%-palladium/activated carbon / methanol; water / 16 h / 55 °C

5.1: pyridine / acetonitrile / 15.25 h / 25 °C

6.1: 1 h / 160 °C

7.1: sodium hydroxide / water / 1.5 h / 100 °C

7.2: 0 °C / pH 1 - 2

8.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 12 h / 25 °C

With pyridine; dmap; sodium hydroxide; ammonia; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; 5%-palladium/activated carbon; In methanol; water; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

: 1000313-21-2
1-(3-chloro-4-fluoro-benzylamino)-1H-pyrrole-2-carboxylic acid allyl ester

: 1000313-20-1
(7-methanesulfonylamino-1,1-dioxo-1,4-dihydro-1λ6-benzo[e][1,2,4]thiadiazin-3-yl)-acetic acid

: 1000313-22-3
1-{(3-chloro-4-fluoro-benzyl)-[2-(7-methanesulfonylmethyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-1H-pyrrole-2-carboxylic acid allyl ester

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 12h;
DOI:10.1016/j.bmcl.2008.04.066

Reference yield:

: 5825-62-7
N-(4-nitrophenyl)methanesulfonamide

: 1000313-22-3
1-{(3-chloro-4-fluoro-benzyl)-[2-(7-methanesulfonylmethyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-1H-pyrrole-2-carboxylic acid allyl ester

Guidance literature:: Multi-step reaction with 7 steps

1.1: hydrogen / 5%-palladium/activated carbon / tetrahydrofuran / 96 h / 25 °C / 760.05 Torr

2.1: Nitroethane / 0.25 - 2 h / -40 - -20 °C

3.1: aluminum (III) chloride / Nitroethane / 0.5 - 0.83 h / 25 - 110 °C

4.1: sulfuric acid / water / 2.5 h / 130 °C

5.1: N,N-dimethyl acetamide / 1 h / 0 - 25 °C

6.1: sodium hydroxide / water / 1 h / 25 - 100 °C

6.2: 21.17 h / 0 - 25 °C

7.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 12 h / 25 °C

With dmap; aluminum (III) chloride; sodium hydroxide; sulfuric acid; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 5%-palladium/activated carbon; In tetrahydrofuran; Nitroethane; N,N-dimethyl acetamide; water; N,N-dimethyl-formamide;