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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Water → (1R,9S,15R,16E,18R,19R,21R,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(3R,4R)-4-(2-ethoxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

HRID 57786
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HRID 57786 반응식
O([CH2:9][CH2:10][O:11][CH2:12][CH3:13])S(C(F)(F)F)(=O)=O.[CH3:14][C@H:15]1[C@@:54]2([OH:56])[O:55][C@H:18]([CH2:19][C@H:20]([O:77][CH3:78])[C:21]([CH3:76])=[CH:22][CH:23]=[CH:24][CH:25]=[CH:26][C@@H:27]([CH3:75])[CH2:28][C@@H:29]([CH3:74])[C:30]([C@H:32]([O:72][CH3:73])[C@H:33]([OH:71])[C:34]([CH3:70])=[CH:35][C@@H:36]([CH3:69])[C:37]([CH2:39][C@@H:40]([C@@H:57]([CH2:59][C@H:60]3[CH2:65][C@@H:64]([O:66][CH3:67])[C@H:63]([OH:68])[CH2:62][CH2:61]3)[CH3:58])[O:41][C:42]([C@H:44]3[N:49]([C:50]([C:52]2=[O:53])=[O:51])[CH2:48][CH2:47][CH2:46][CH2:45]3)=[O:43])=[O:38])=[O:31])[CH2:17][CH2:16]1.N1C(C)=CC=CC=1C.O>C1(C)C=CC=CC=1.C(OCC)(=O)C>[CH3:9][CH2:10][O:11][CH2:12][CH2:13][O:68][C@H:63]1[C@H:64]([O:66][CH3:67])[CH2:65][CH:60]([CH2:59][C@H:57]([CH:40]2[O:41][C:42](=[O:43])[C@H:44]3[N:49]([CH2:48][CH2:47][CH2:46][CH2:45]3)[C:50](=[O:51])[C:52](=[O:53])[C@:54]3([OH:56])[O:55][C@@H:18]([CH2:17][CH2:16][C@H:15]3[CH3:14])[CH2:19][C@H:20]([O:77][CH3:78])[C:21]([CH3:76])=[CH:22][CH:23]=[CH:24][CH:25]=[CH:26][CH:27]([CH3:75])[CH2:28][C@@H:29]([CH3:74])[C:30](=[O:31])[C@H:32]([O:72][CH3:73])[C@H:33]([OH:71])[C:34]([CH3:70])=[CH:35][C@@H:36]([CH3:69])[C:37](=[O:38])[CH2:39]2)[CH3:58])[CH2:61][CH2:62]1
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참가 물질

7

반응물 4

HCID 962WaterHCID 79372,6-Lutidine3회HCID 5284616Sirolimus2회HCID 160501642-Ethoxyethyl triflate2회

생성물 1

HCID 56841932
(1R,9S,15R,16E,18R,19R,21R,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(3R,4R)-4-(2-ethoxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

시약·촉매·용매 2

HCID 1140Toluene용매HCID 8857Ethyl Acetate용매

실험 절차

Coupling of 2-ethoxyethyl triflate (44.3 equivalents) and rapamycin (1.0 equivalent) in toluene with 2,6-lutidine (49.1 equivalents) was conducted at 55° C. (external water bath temperature) for 90 minutes. In this process (on a 2.0 g scale of, rapamycin), the 2-ethoxyethyl triflate was added to a pre-heated reaction mixture (55° C.) in one portion. After heating for 90 minutes, the external heating was turned off followed by addition of the second portion of 2,6-lutidine (54.9 equivalents). After the addition of the second lutidine portion, the reaction mixture was stirred for an additional 90 minutes at ambient temperature followed by workup to isolate crude BA9. The work-up included: 1. dilution of the reaction mixture with ethyl acetate; 2. quench of the reaction mixture with cold 1 N HCl; and 3. wash of the organic layer with three portions of 20% sodium chloride solution in water. The pH of the water layer after the last sodium chloride wash was ˜6. The crude material was then purified by an isocratic silica gel column chromatography using only one solvent mixture (n-hexane/ethyl acetate in ratio of 4:6 (vol/vol)).

후처리

  1. customwas conducted at 55° C.
  2. customfor 90 minutes
  3. temperatureAfter heating for 90 minutes
  4. temperaturethe external heating
  5. customto isolate crude BA9
  6. customquench of the reaction mixture with cold 1 N HCl
  7. washwash of the organic layer with three portions of 20% sodium chloride solution in water
  8. washThe pH of the water layer after the last sodium chloride wash
  9. customThe crude material was then purified by an isocratic silica gel column chromatography

출처 및 근거

ORD 기록
ord-2a13ecd5cbc64e2a9a13c2e98ef070b1
출처 데이터셋
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09434744B2

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