(9aR,12aS)-5-(4-methylphenylsulfonyl)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline

Base Information

Chemical Name:(9aR,12aS)-5-(4-methylphenylsulfonyl)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline
CAS No.:1442654-19-4
Molecular Formula:C₂₂H₂₆N₂O₂S
Molecular Weight:382.527
Hs Code.:

Synonyms:(9aR,12aS)-5-(4-methylphenylsulfonyl)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline

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Chemical Property of (9aR,12aS)-5-(4-methylphenylsulfonyl)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline

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Technology Process of (9aR,12aS)-5-(4-methylphenylsulfonyl)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline

There total 4 articles about (9aR,12aS)-5-(4-methylphenylsulfonyl)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline 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:

: 1442654-17-2
5-(4-methylphenylsulfonyl)-5,6,7,10,11,12-hexahydro-4H-cyclopenta[c][1,4]diazepino[6,7,1-ij]quinolin-8-ium triflate

: 1442654-19-4
(9aR,12aS)-5-(4-methylphenylsulfonyl)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline

: C₂₂H₂₆N₂O₂S

Guidance literature:: With bis(1,5-cyclooctadiene)diiridium(I) dichloride; 2,6-di-tert-butyl-pyridine; tri-tert-butyl phosphine; hydrogen; lithium iodide; (S)-(+)-(3,5-dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)morpholine; In methanol; 1,2-dichloro-ethane; at 50 ℃; under 15514.9 Torr; Time; Reagent/catalyst; Concentration; enantioselective reaction;
DOI:10.1021/ol401029k

Reference yield:

: 93019-52-4
4-(toluene-4-sulfonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

: 1442654-19-4
(9aR,12aS)-5-(4-methylphenylsulfonyl)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline

: C₂₂H₂₆N₂O₂S

Guidance literature:: Multi-step reaction with 2 steps

1: iodine; hydrogen iodide / methanol / 12 h / 30 °C

2: bis(1,5-cyclooctadiene)diiridium(I) dichloride; (S)-(+)-(3,5-dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)morpholine; tri-tert-butyl phosphine; 2,6-di-tert-butyl-pyridine; lithium chloride; hydrogen / methanol; 1,2-dichloro-ethane / 38 h / 50 °C / 12929 Torr

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; 2,6-di-tert-butyl-pyridine; tri-tert-butyl phosphine; hydrogen iodide; hydrogen; iodine; lithium chloride; (S)-(+)-(3,5-dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)morpholine; In methanol; 1,2-dichloro-ethane;
DOI:10.1021/ol401029k

Reference yield:

: 5177-43-5
2,3,4,5-tetrahydro-1H-benzodiazepine dihydrochloride

: 1442654-19-4
(9aR,12aS)-5-(4-methylphenylsulfonyl)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline

: C₂₂H₂₆N₂O₂S

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydrogencarbonate / ethyl acetate; water

1.2: 3.33 h / 20 °C

2.1: butan-1-ol / 5 h / 100 °C

3.1: bis(1,5-cyclooctadiene)diiridium(I) dichloride; (S)-(+)-(3,5-dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)morpholine; tri-tert-butyl phosphine; 2,6-di-tert-butyl-pyridine; hydrogen; lithium iodide / methanol; 1,2-dichloro-ethane / 50 °C / 15514.9 Torr

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; 2,6-di-tert-butyl-pyridine; tri-tert-butyl phosphine; hydrogen; sodium hydrogencarbonate; lithium iodide; (S)-(+)-(3,5-dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)morpholine; In methanol; water; ethyl acetate; 1,2-dichloro-ethane; butan-1-ol;
DOI:10.1021/ol401029k