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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → {(S)-6-[(R)-4-(8-Oxa-3-aza-bicyclo[3.2.1]oct-3-ylmethyl)-5-trifluoromethyl-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester

HRID 1422628
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HRID 1422628 반응식
[CH3:1][O:2][C:3](=[O:30])[CH2:4][C@H:5]1[C:9]2[CH:10]=[CH:11][C:12]([O:14][C@H:15]3[C:23]4[C:18](=[C:19]([CH:28]=O)[C:20]([C:24]([F:27])([F:26])[F:25])=[CH:21][CH:22]=4)[CH2:17][CH2:16]3)=[CH:13][C:8]=2[O:7][CH2:6]1.Cl.[CH:32]12[O:39][CH:36]([CH2:37][CH2:38]1)[CH2:35][NH:34][CH2:33]2.C([O-])(=O)C.[Na+].Cl.C([O-])([O-])=O.[K+].[K+]>O.ClCCCl>[CH3:1][O:2][C:3](=[O:30])[CH2:4][C@H:5]1[C:9]2[CH:10]=[CH:11][C:12]([O:14][C@H:15]3[C:23]4[C:18](=[C:19]([CH2:28][N:34]5[CH2:33][CH:32]6[O:39][CH:36]([CH2:37][CH2:38]6)[CH2:35]5)[C:20]([C:24]([F:27])([F:25])[F:26])=[CH:21][CH:22]=4)[CH2:17][CH2:16]3)=[CH:13][C:8]=2[O:7][CH2:6]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 313Hydrochloric AcidHCID 11430Potassium CarbonateHCID 517045Sodium AcetateHCID 219835368-Oxa-3-aza-bicyclo(3.2.1)octane hydrochlorideHCID 86700810{(S)-6-[(R)-4-Formyl-5-trifluoromethyl-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester

생성물 1

HCID 90313422
{(S)-6-[(R)-4-(8-Oxa-3-aza-bicyclo[3.2.1]oct-3-ylmethyl)-5-trifluoromethyl-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester

시약·촉매·용매 2

HCID 111,2-Dichloroethane용매HCID 962Water용매

실험 절차

NaHB(O2CCH3)3 (30 mg) is added to a mixture of {(S)-6-[(R)-4-formyl-5-trifluoromethyl-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester (20 mg), 8-oxa-3-aza-bicyclo[3.2.1]octane hydrochloride (14 mg), sodium acetate (4 mg), and 1,2-dichloroethane (1 mL) at room temperature. The mixture is stirred at room temperature overnight. 1 M aqueous HCl solution is added, the resulting mixture is stirred for 10 min, and then water is added. The mixture is basified with aqueous K2CO3 solution and extracted with ethyl acetate. The combined extract is washed with brine, dried (Na2SO4), and concentrated to give the title compound. LC (method 4): tR=1.15 min; Mass spectrum (ESI+): m/z=518 [M+H]+.

후처리

  1. stirringthe resulting mixture is stirred for 10 min
  2. extractionextracted with ethyl acetate
  3. extractionThe combined extract
  4. washis washed with brine
  5. dry with materialdried (Na2SO4)
  6. concentrationconcentrated

출처 및 근거

ORD 기록
ord-1788c48b97ab487c88adc49a20bc8ac0
출처 데이터셋
uspto-grants-2015_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08927531B2

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