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Acetonitrile → HCID 57978119, 화합물

HRID 554755
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HRID 554755 반응식
C1(C)C=CC(S(O)(=O)=O)=CC=1.[NH2:12][C@H:13]1[CH2:22][CH2:21][C:16]2([O:20][CH2:19][CH2:18][O:17]2)[CH2:15][C@H:14]1[C:23]([O:25][CH2:26][CH3:27])=[O:24].O.ON1C2C=CC=CC=2N=N1.[C:39]([NH:49][C@H:50]([C:55](O)=[O:56])[CH2:51][CH2:52][S:53][CH3:54])([O:41][CH2:42][C:43]1[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=1)=[O:40].C(#N)C>C(OCC)(=O)C.C(N(CC)CC)C>[CH2:42]([O:41][C:39]([NH:49][C@@H:50]([CH2:51][CH2:52][S:53][CH3:54])[C:55]([NH:12][C@H:13]1[CH2:22][CH2:21][C:16]2([O:20][CH2:19][CH2:18][O:17]2)[CH2:15][C@H:14]1[C:23]([O:25][CH2:26][CH3:27])=[O:24])=[O:56])=[O:40])[C:43]1[CH:44]=[CH:45][CH:46]=[CH:47][CH:48]=1
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참가 물질

7

반응물 4

HCID 6342AcetonitrileHCID 1550857Benzyloxycarbonyl-L-methionineHCID 27960291-Hydroxybenzotriazole hydrateHCID 57454058HCID 57454058, 화합물

생성물 1

HCID 57978119HCID 57978119, 화합물

시약·촉매·용매 2

HCID 8471Triethylamine용매
HCID 8857
Ethyl Acetate
용매

실험 절차

Ethyl (7R,8S)-8-amino-1,4-dioxa-spiro[4.5]decane-7-carboxylate 4-toluenesulfonate salt 1 (450.1 g; the product of reductive deprotection of a known compound—see R. J. Chemey, WO 2004/098516 and G. V. Delucca & S. S. Ko, WO 2004/110993), was combined with 1-ethyl-3-(3-dimethyl-amino-propyl)carbo-diimide hydrochloride (236.3 g), 1-hydroxy benzotriazole hydrate (171.9 g), N-carbobenzyloxy-L-methionine (333.4 g) and acetonitrile (3.1 L). To the stirred mixture was added triethylamine (249.5 g) below 30° C. Upon reaction completion (HPLC), the mixture was diluted with ethyl acetate (8.2 L) and washed with aqueous 25% potassium bicarbonate solution (2×4.5 L) followed by water (4.5 L). The organic phase was separated and concentrated under reduced pressure to obtain a solution of ethyl (7R,8S)-8-((S)-2-benzyloxycarbonylamino-4-methylsulfanyl-butyrylamino)-1,4-dioxa-spiro[4.5]decane-7-carboxylate 2 (1.4 L). Methyl iodide (2.39 kg) was added, the vessel was shielded from light and the mixture was held under slow agitation for approx. 24 h. To the thick yellow precipitate was added methyl tert-butyl ether (2.7 L) and the mixture was held for approx. 1 h. The product was isolated by filtration and the cake was washed with methyl tert-butyl ether (2×1.4 L), then dried under vacuum, yielding [(S)-3-benzyloxy-carbonylamino-3-(7R,8S)-7-ethoxycarbonyl-1,4-dioxa-spiro[4.5]dec-8-ylcarbamoyl)-propyl]-dimethylsulfonium iodide 3 (671.4 g, ˜94% yield) as an off-white solid (HPLC purity 99.9%).

후처리

  1. customUpon reaction completion (HPLC)
  2. washwashed with aqueous 25% potassium bicarbonate solution (2×4.5 L)
  3. customThe organic phase was separated
  4. concentrationconcentrated under reduced pressure

출처 및 근거

ORD 기록
ord-3e90adc1216c440f8048b695b29c303d
출처 데이터셋
uspto-grants-2011_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08049019B2

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