| Identification | Back Directory | [Name]
(7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol | [CAS]
875573-67-4 | [Synonyms]
Fulvestrant int3
Fulvestrant Impurity 43
Fulvestrant intermediate N-2
Fulvestrant interMediate N-2(1)
Fulvestrant Intermediates--5-1(N-3-1)
(7α,17β)-7-(9-bromononyl)estra-1,3,5(10)-triene-3,17-diol
(7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol
"(7α,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol"
(7A,17BETA)-7-(9-BROMONONYL)ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
Estra-1,3,5(10)-triene-3,17-diol, 7-(9-bromononyl)-, (7α,17β)-
Estra-1,3,5(10)-triene-3,17-diol, 7-(9-broMononyl)-, (7a,17b)- (9CI)
(7a,17b)-7-(9-Bromononyl)Estra-1,3,5(10)-Triene-3,17-Diol(For export only)
(7R,8R,9S,13S,14S,17S)-7-(9-bromononyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
(7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | [EINECS(EC#)]
682-386-6 | [Molecular Formula]
C27H41BrO2 | [MDL Number]
MFCD16038540 | [MOL File]
875573-67-4.mol | [Molecular Weight]
477.53 |
| Chemical Properties | Back Directory | [Boiling point ]
586.1±50.0 °C(Predicted) | [density ]
1.196 | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
10.27±0.70(Predicted) | [InChIKey]
ILWDBZWOZQESSY-RIVKPNGLNA-N | [SMILES]
C([C@@H]1CC2=CC(O)=CC=C2[C@@]2([H])CC[C@@]3([C@@H](O)CC[C@@]3([H])[C@]12[H])C)CCCCCCCCBr |&1:1,10,14,15,19,21,r| |
| Hazard Information | Back Directory | [Uses]
(7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol is used in the synthetic preparation of 7α-alkylated 19-norsteroids. | [Definition]
(7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol is a Fulvestrant intermediate. | [Synthesis]
Synthesis of (7R,8R,9S,13S,14S,17S)-7-(9-bromononyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a ]phenanthrene-3,17-diol was performed in the following general steps: the compound of Formula II (5.0 g) prepared in Example 1 was added to a reaction flask with methanol (50 mL) and heated until dissolved. Subsequently, aqueous hydrobromic acid (5 mL of 40 mL) was slowly added and the reaction was carried out at 60 °C for 2 hours. After completion of the reaction, it was cooled to room temperature and the solid product was collected by filtration. The resulting solid was dried in a vacuum oven at 40 °C for 8 h to afford the compound of formula III (4.3 g), which was tested to be 97.7% pure. | [References]
[1] Patent: US2006/30552, 2006, A1. Location in patent: Page/Page column 25
[2] Patent: CN107325143, 2017, A. Location in patent: Paragraph 0010; 0011; 0012 |
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