1,2,3,10,11,11a-Hexahydro-9,11-dihydroxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one

Base Information

Chemical Name:1,2,3,10,11,11a-Hexahydro-9,11-dihydroxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
CAS No.:71444-85-4
Molecular Formula:C₁₃H₁₆N₂O₃
Molecular Weight:248.282
Hs Code.:
DSSTox Substance ID:DTXSID00991843

Synonyms:71444-85-4;1,2,3,10,11,11a-Hexahydro-9,11-dihydroxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one;SCHEMBL11460019;DTXSID00991843;GJSRACHPZCXSPL-UHFFFAOYSA-N;5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-9,11-dihydroxy-8-methyl-;2,3,5,10,11,11 a-hexahydro-9,11-dihydroxy-8-methyl-1H-pyrrolo[2,1-C] [1,4]benzodiazepin-5-one;2,3,5,10,11,11a-hexahydro-9,11-dihydroxy-8-methyl-1H-pyrrolo(2,1-C)(1,4)benzodiazepin-5-one;9,11-Dihydroxy-8-methyl-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

Suppliers and Price of 1,2,3,10,11,11a-Hexahydro-9,11-dihydroxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,2,3,10,11,11a-Hexahydro-9,11-dihydroxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one

Chemical Property:

Vapor Pressure:9.2E-12mmHg at 25°C
Boiling Point:522.9°Cat760mmHg
Flash Point:270.1°C
Density:1.42g/cm³
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:248.11609238
Heavy Atom Count:18
Complexity:349

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=C(C=C1)C(=O)N3CCCC3C(N2)O)O

Technology Process of 1,2,3,10,11,11a-Hexahydro-9,11-dihydroxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one

There total 9 articles about 1,2,3,10,11,11a-Hexahydro-9,11-dihydroxy-8-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one 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:

: 100230-82-8
N-<3-(benzyloxy)-4-methyl-2-nitrobenzoyl>pyrrolidine-2-carboxaldehyde

: 100230-85-1
9-Hydroxy-8-methyl-1,2,3,10,11,11a-hexahydro-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one

: 100296-65-9
9-hydroxy-8-methyl-1,2,3,11a-tetrahydro-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one

: 71444-85-4
9,11-dihydroxy-8-methyl-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo<2,1-c><1,4>benzodiazepine

: 71444-76-3
9-hydroxy-11-methoxy-8-methyl-1,2,3,10,11,11a-hexahydro-5H-pyrrolo<2,1-c><1,4>-benzodiazepin-5-one

Guidance literature:: With hydrogen; palladium on barium sulfate; In methanol; for 0.5h; under 760 Torr;
DOI:10.1021/jo00355a022

Reference yield:

: 67-56-1
methanol

: 100230-82-8
N-<3-(benzyloxy)-4-methyl-2-nitrobenzoyl>pyrrolidine-2-carboxaldehyde

: 100230-85-1
9-Hydroxy-8-methyl-1,2,3,10,11,11a-hexahydro-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one

: 100296-65-9
9-hydroxy-8-methyl-1,2,3,11a-tetrahydro-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one

: 71444-85-4
9,11-dihydroxy-8-methyl-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo<2,1-c><1,4>benzodiazepine

: 71444-76-3
9-hydroxy-11-methoxy-8-methyl-1,2,3,10,11,11a-hexahydro-5H-pyrrolo<2,1-c><1,4>-benzodiazepin-5-one

Guidance literature:: With hydrogen; palladium on barium sulfate; for 0.5h; under 760 Torr; Title compound not separated from byproducts;
DOI:10.1021/jo00355a022

Reference yield:

: 7536-35-8
2-nitro-3-benzyloxy-4-methylbenzoyl chloride

: 71444-85-4
9,11-dihydroxy-8-methyl-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo<2,1-c><1,4>benzodiazepine

Guidance literature:: Multi-step reaction with 5 steps

1: 60.7 percent / triethylamine / CH₂Cl₂ / 1 h

2: 1. sodium dithionite, 2. aq. HCl / 1. 50percent aq. THF

3: 89.4 percent / H₂ / 10percent Pd/C / Ambient temperature

4: 83.8 percent / 0.33 h / 200 °C

5: 1. NaBH₄, 2. 0.01N HCl / 1. MeOH, 5 deg C, 4-5h, 2. relux, 3-4h

With hydrogenchloride; sodium tetrahydroborate; sodium dithionite; hydrogen; triethylamine; palladium on activated charcoal; In dichloromethane;