ethyl 7-benzyl-4-oxo-3,4,5,7,8,9-hexahydrothiepino<2,3-b:5,4-b'>dipyrrole-2-carboxylate

Base Information

Chemical Name:ethyl 7-benzyl-4-oxo-3,4,5,7,8,9-hexahydrothiepino<2,3-b:5,4-b'>dipyrrole-2-carboxylate
CAS No.:94405-30-8
Molecular Formula:C₂₀H₂₀N₂O₃S
Molecular Weight:368.456
Hs Code.:

Synonyms:ethyl 7-benzyl-4-oxo-3,4,5,7,8,9-hexahydrothiepino<2,3-b:5,4-b'>dipyrrole-2-carboxylate

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Chemical Property of ethyl 7-benzyl-4-oxo-3,4,5,7,8,9-hexahydrothiepino<2,3-b:5,4-b'>dipyrrole-2-carboxylate

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Technology Process of ethyl 7-benzyl-4-oxo-3,4,5,7,8,9-hexahydrothiepino<2,3-b:5,4-b'>dipyrrole-2-carboxylate

There total 15 articles about ethyl 7-benzyl-4-oxo-3,4,5,7,8,9-hexahydrothiepino<2,3-b:5,4-b'>dipyrrole-2-carboxylate 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: 100.0%

: 94405-23-9
ethyl 4-(1-benzyl-2-thioxopyrrolidin-3-yl)-5-(diazoacetyl)pyrrole-2-carboxylate

: 94405-30-8
ethyl 7-benzyl-4-oxo-3,4,5,7,8,9-hexahydrothiepino<2,3-b:5,4-b'>dipyrrole-2-carboxylate

Guidance literature:: With boron trifluoride diethyl etherate; In dichloromethane; for 0.25h;
DOI:10.1021/jo00204a001

Reference yield:

: 22441-25-4
1-(1H-pyrrol-2-yl)butane-1,3-dione

: 94405-30-8
ethyl 7-benzyl-4-oxo-3,4,5,7,8,9-hexahydrothiepino<2,3-b:5,4-b'>dipyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 15 steps

1: hydroxylamine hydrochloride, Et₃N / methanol / 0.67 h / Heating

2: p-toluenesulfonic acid / methanol

3: 88 percent / 1,2-dichloro-ethane / 2 h / Heating

4: 99 percent / ethanol / 0.5 h

5: 87 percent / sodium acetate trihydrate, acetic acid, Br₂ / CH₂Cl₂ / 1.) 5 deg C, 5 min, 2.) RT, 20 min

7: 93 percent / conc. HCl / 0.33 h / Ambient temperature

8: 82 percent / H₂ / 5percent Pd/C / ethanol / 9 h / 50 °C / 5171.5 Torr

9: 96 percent / hydroxylamine hydrochloride / ethanol / 1 h / Heating

10: 88 percent / P₄S₁₀ / toluene / 0.5 h / Heating

11: 91 percent / molybdenum hexacarbonyl, H₂O / acetonitrile / 1.5 h / Heating

12: 100 percent / 5percent HCl / tetrahydrofuran / 0.42 h / 55 °C

13: 610 mg / Et₃N / tetrahydrofuran / 5.5 h / Ambient temperature

14: pyrrolidine / ethanol / 0.33 h / Ambient temperature

15: 100 percent / BF₃*Et₂O / CH₂Cl₂ / 0.25 h

With pyrrolidine; hydrogenchloride; tetraphosphorus decasulfide; molybdenum hexacarbonyl; boron trifluoride diethyl etherate; hydroxylamine hydrochloride; water; hydrogen; bromine; sodium acetate; toluene-4-sulfonic acid; acetic acid; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; 1,2-dichloro-ethane; toluene; acetonitrile;
DOI:10.1021/jo00204a001

Reference yield:

: 94405-06-8
2-(3-methylisoxazol-5-yl)pyrrole

: 94405-30-8
ethyl 7-benzyl-4-oxo-3,4,5,7,8,9-hexahydrothiepino<2,3-b:5,4-b'>dipyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 13 steps

1: 88 percent / 1,2-dichloro-ethane / 2 h / Heating

2: 99 percent / ethanol / 0.5 h

3: 87 percent / sodium acetate trihydrate, acetic acid, Br₂ / CH₂Cl₂ / 1.) 5 deg C, 5 min, 2.) RT, 20 min

5: 93 percent / conc. HCl / 0.33 h / Ambient temperature

6: 82 percent / H₂ / 5percent Pd/C / ethanol / 9 h / 50 °C / 5171.5 Torr

7: 96 percent / hydroxylamine hydrochloride / ethanol / 1 h / Heating

8: 88 percent / P₄S₁₀ / toluene / 0.5 h / Heating

9: 91 percent / molybdenum hexacarbonyl, H₂O / acetonitrile / 1.5 h / Heating

10: 100 percent / 5percent HCl / tetrahydrofuran / 0.42 h / 55 °C

11: 610 mg / Et₃N / tetrahydrofuran / 5.5 h / Ambient temperature

12: pyrrolidine / ethanol / 0.33 h / Ambient temperature

13: 100 percent / BF₃*Et₂O / CH₂Cl₂ / 0.25 h

With pyrrolidine; hydrogenchloride; tetraphosphorus decasulfide; molybdenum hexacarbonyl; boron trifluoride diethyl etherate; hydroxylamine hydrochloride; water; hydrogen; bromine; sodium acetate; acetic acid; triethylamine; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; 1,2-dichloro-ethane; toluene; acetonitrile;
DOI:10.1021/jo00204a001