(2S)-N-{4-[5-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy)pentyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carbaldehyde diethyl thioacetal

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Chemical Name:(2S)-N-{4-[5-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy)pentyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carbaldehyde diethyl thioacetal
CAS No.:763125-78-6
Molecular Formula:C₃₅H₄₈N₄O₈S₂
Molecular Weight:716.92
Hs Code.:

(2S)-N-{4-[5-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy)pentyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carbaldehyde diethyl thioacetal

Synonyms:(2S)-N-{4-[5-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy)pentyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carbaldehyde diethyl thioacetal

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Chemical Property of (2S)-N-{4-[5-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy)pentyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carbaldehyde diethyl thioacetal

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Technology Process of (2S)-N-{4-[5-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy)pentyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carbaldehyde diethyl thioacetal

There total 6 articles about (2S)-N-{4-[5-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy)pentyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carbaldehyde diethyl thioacetal 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: 72.0%

: 175409-52-6
(11aS)-8-hydroxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo<2,1-c><1,4>benzodiazepine-5-one

: 343308-57-6
(2S)-N-[4-(5-bromopentyloxy)-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl thioacetal

: 763125-78-6
(2S)-N-{4-[5-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy)pentyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carbaldehyde diethyl thioacetal

Guidance literature:: With potassium carbonate; In acetone; for 48h; Heating;
DOI:10.1016/j.bmc.2004.07.045

Reference yield:

: 61032-41-5
methyl 4-(benzyloxy)-5-methoxy-2-nitrobenzoate

: 763125-78-6
(2S)-N-{4-[5-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy)pentyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carbaldehyde diethyl thioacetal

Guidance literature:: Multi-step reaction with 6 steps

1.1: 83 percent / LiOH / tetrahydrofuran; H₂O; methanol / 12 h / 20 °C

2.1: thionyl chloride; DMF / benzene / 6 h

2.2: 85 percent / Et₃N / tetrahydrofuran / 0 - 20 °C

3.1: 85 percent / LiBH₄ / tetrahydrofuran / 2.5 h / 0 - 20 °C

4.1: 90 percent / DMSO; oxalyl chloride; Et₃N / CH₂Cl₂ / -70 - 20 °C

5.1: 62 percent / H₂ / Pd/C / methanol / 10 h / 20 °C / atmospheric pressure

6.1: 72 percent / K₂CO₃ / acetone / 48 h / Heating

With lithium hydroxide; lithium borohydride; thionyl chloride; oxalyl dichloride; hydrogen; potassium carbonate; dimethyl sulfoxide; triethylamine; N,N-dimethyl-formamide; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water; acetone; benzene; 4.1: Swern oxidation;
DOI:10.1016/j.bmc.2004.07.045

Reference yield:

: 56441-97-5
methyl 4-(benzyloxy)-3-methoxybenzoate

: 763125-78-6
(2S)-N-{4-[5-(7-methoxy-(11aS)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one-8-yloxy)pentyloxy]-5-methoxy-2-nitrobenzoyl}pyrrolidine-2-carbaldehyde diethyl thioacetal

Guidance literature:: Multi-step reaction with 7 steps

1.1: 78 percent / SnCl₄; HNO₃ / CH₂Cl₂ / 0.08 h / -78 °C

2.1: 83 percent / LiOH / tetrahydrofuran; H₂O; methanol / 12 h / 20 °C

3.1: thionyl chloride; DMF / benzene / 6 h

3.2: 85 percent / Et₃N / tetrahydrofuran / 0 - 20 °C

4.1: 85 percent / LiBH₄ / tetrahydrofuran / 2.5 h / 0 - 20 °C

5.1: 90 percent / DMSO; oxalyl chloride; Et₃N / CH₂Cl₂ / -70 - 20 °C

6.1: 62 percent / H₂ / Pd/C / methanol / 10 h / 20 °C / atmospheric pressure

7.1: 72 percent / K₂CO₃ / acetone / 48 h / Heating

With lithium hydroxide; lithium borohydride; thionyl chloride; oxalyl dichloride; hydrogen; nitric acid; tin(IV) chloride; potassium carbonate; dimethyl sulfoxide; triethylamine; N,N-dimethyl-formamide; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water; acetone; benzene; 5.1: Swern oxidation;
DOI:10.1016/j.bmc.2004.07.045