1515-75-9 → HCID 86731504, compound

HRID 1773045Notes

Reaction equation

HRID 1773045 reaction equation
FC1(C(O)=O)CC[C:5](=[CH:8][C:9]2[C:10]([CH3:50])([CH3:49])[C@H:11]3[C@:24]([CH3:27])([CH2:25][CH:26]=2)[C@@H:23]2[C@:14]([CH3:48])([C@@:15]4([CH3:47])[C@H:20]([CH2:21][CH2:22]2)[C@H:19]2[C@H:28]([C:31]([CH3:33])=[CH2:32])[CH2:29][CH2:30][C@:18]2([NH:34][CH2:35][CH2:36][N:37]2[CH2:42][CH2:41][CH:40]([S:43]([CH3:46])(=[O:45])=[O:44])[CH2:39][CH2:38]2)[CH2:17][CH2:16]4)[CH2:13][CH2:12]3)CC1.[C:54]([O:60][CH3:61])(=[O:59])/[CH:55]=[CH:56]/C=C>>[CH3:47][C@:15]12[C@@:14]3([CH3:48])[C@@H:23]([C@:24]4([CH3:27])[C@@H:11]([CH2:12][CH2:13]3)[C:10]([CH3:50])([CH3:49])[C:9]([CH:8]=[CH:5][CH:56]=[CH:55][C:54]([O:60][CH3:61])=[O:59])=[CH:26][CH2:25]4)[CH2:22][CH2:21][C@@H:20]1[C@H:19]1[C@H:28]([C:31]([CH3:33])=[CH2:32])[CH2:29][CH2:30][C@:18]1([NH:34][CH2:35][CH2:36][N:37]1[CH2:38][CH2:39][CH:40]([S:43]([CH3:46])(=[O:44])=[O:45])[CH2:41][CH2:42]1)[CH2:17][CH2:16]2

Participants

3

Reactant 2

HCID 60010871515-75-9HCID 78320689HCID 78320689, compound

Product 1

HCID 86731504HCID 86731504, compound

Procedure

The title compound was prepared following the procedure described in step 1 of the preparation of 1-fluoro-4-(((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-((2-(4-(methylsulfonyl)piperidin-1-yl)ethyl)amino)-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)methylene)cyclohexanecarboxylic acid using (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-((2-(4-(methylsulfonyl)piperidin-1-yl)ethyl)amino)-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yltrifluoromethanesulfonate and (E)-methyl penta-2,4-dienoate as the reactants. The crude material was used in next step without purification. MS: m/e 709.5 (M+H)+, 2.55 min (method 5).

Workup

  1. customThe crude material was used in next step without purification
  2. customm/e 709.5 (M+H)+, 2.55 min (method 5)

Sources & evidence

ORD record
ord-e99453759b364eb5ad16bf308987ef4f
Source dataset
uspto-grants-2016_02
Patent number
US09249180B2

Reaction notes

Loading…