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Acetic Acid → HCID 11949606, 화합물

HRID 1009979
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HRID 1009979 반응식
C(OC([O:8][NH:9][C:10]([C:12]1[S:16][C:15]2[CH:17]=[C:18]([CH:21]=O)[CH:19]=[CH:20][C:14]=2[CH:13]=1)=[O:11])C)C(C)C.[CH:23]1([O:28][C:29](=[O:50])[C@@H:30]([NH:42]C(OC(C)(C)C)=O)[CH2:31][CH2:32][O:33][C:34]2[CH:39]=[CH:38][C:37]([CH2:40][NH2:41])=[CH:36][CH:35]=2)[CH2:27][CH2:26][CH2:25][CH2:24]1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(O)(=O)C>ClCCCl.C(O)(C(F)(F)F)=O.C(Cl)Cl>[CH:23]1([O:28][C:29](=[O:50])[C@@H:30]([NH2:42])[CH2:31][CH2:32][O:33][C:34]2[CH:35]=[CH:36][C:37]([CH2:40][NH:41][CH2:21][C:18]3[CH:19]=[CH:20][C:14]4[CH:13]=[C:12]([C:10](=[O:11])[NH:9][OH:8])[S:16][C:15]=4[CH:17]=3)=[CH:38][CH:39]=2)[CH2:27][CH2:26][CH2:25][CH2:24]1
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참가 물질

7

반응물 4

HCID 176Acetic AcidHCID 5049666Sodium triacetoxyborohydrideHCID 57971713HCID 57971713, 화합물HCID 57994336HCID 57994336, 화합물

생성물 1

HCID 11949606HCID 11949606, 화합물수율 15.1%

시약·촉매·용매 2

HCID 111,2-Dichloroethane
용매
HCID 21863450Trifluoroacetic acid methylene chloride용매

실험 절차

To a stirred solution of 6-formyl-benzo[b]thiophene-2-carboxylic acid (1-isobutoxy-ethoxy) amide (Scheme 13) (0.128 g, 0.40 mmol) in DCE (5 ml) was added (S)-4-(4-aminomethyl-phenoxy)-2-tert-butoxycarbonylamino-butyric acid cyclopentyl ester (0.156 g, 0.40 mmol) followed by sodium triacetoxyborohydride (0.253 g, 1.1 g mmol) and glacial acetic acid (0.023 ml, 0.40 mmol). After stirring for 18 hours the mixture was quenched using saturated aqueous NaHCO3 solution (5 ml). The organic layer was separated, washed further with saturated aqueous NaHCO3 solution (2×5 ml), dried (MgSO4) and the solvent removed in vacuo to give a yellow residue. The residue was redissolved in a TFA/DCM solution (1:1, 5 ml). After stirring the solution for 45 minutes the solvent was removed in vacuo. Purification by preparative HPLC gave the product as a white solid (0.030 g, 15% yield). LCMS purity 96.1%, m/z 498 [M++H]+, 1H NMR (300 MHz, DMSO), δ: 1.50-1.90 (9H, m, CH2×4, CH), 2.25 (2H, m, CH2), 4.10-4.40 (7H, m, CH2×3, CH), 5.20 (1H, m, CH), 6.95 (2H, d, ArH×2, J=8.6 Hz), 7.45 (2H, d, ArH×2, J=8.6 Hz), 7.55 (1H, d, ArH, J=7.8 Hz), 8.00 (2H, m, ArH×2), 8.15 (1H, s, ArH), 8.40 (2H, br s, ArH×2), 9.20 (2H, m ArH×2).

후처리

  1. customwas quenched
  2. customThe organic layer was separated
  3. washwashed further with saturated aqueous NaHCO3 solution (2×5 ml)
  4. dry with materialdried (MgSO4)
  5. customthe solvent removed in vacuo
  6. customto give a yellow residue
  7. stirringAfter stirring the solution for 45 minutes the solvent
  8. customwas removed in vacuo
  9. customPurification by preparative HPLC

출처 및 근거

ORD 기록
ord-fb49772055494e529ab4e749bf0466aa
출처 데이터셋
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07973181B2

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