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Water → tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate

HRID 64048
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HRID 64048 반응식
[C:1]([OH:6])(=[O:5])[C:2]([OH:4])=[O:3].O.[NH2:8][C@H:9]1[CH2:14][CH2:13][C@H:12]([C:15]([N:17]([CH3:19])[CH3:18])=[O:16])[CH2:11][C@H:10]1[NH:20][C:21](=[O:27])[O:22][C:23]([CH3:26])([CH3:25])[CH3:24]>C(#N)C>[C:1]([OH:6])(=[O:5])[C:2]([OH:4])=[O:3].[NH2:8][C@H:9]1[CH2:14][CH2:13][C@H:12]([C:15]([N:17]([CH3:18])[CH3:19])=[O:16])[CH2:11][C@H:10]1[NH:20][C:21](=[O:27])[O:22][C:23]([CH3:25])([CH3:24])[CH3:26]
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참가 물질

5

반응물 3

HCID 962WaterHCID 971Oxalic AcidHCID 469135491,1-Dimethylethyl N-[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate

생성물 1

HCID 46913548tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate

시약·촉매·용매 1

HCID 6342Acetonitrile용매2회

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온도
35 °C

실험 절차

Oxalic acid (16.24 g) was added to acetonitrile (640 ml) and water (40 ml), and the obtained solution was then heated to approximately 35° C. To this solution, a solution of tert-butyl(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexylcarbamate prepared by the above described method in acetonitrile (approximately 640 ml) was added dropwise, and the obtained mixture was then stirred at approximately 35° C. for approximately 1 hour. Thereafter, the reaction solution was cooled to approximately 25° C., and was then stirred for approximately 1 hour. The precipitated crystals were filtered, and were then washed with 7% aqueous acetonitrile (300 ml) to obtain a monohydrate of the title compound (tert-butyl(1R,2S,5S)-2-amino-5-[(dimethylamino) carbonyl]cyclohexylcarbamate oxalate monohydrate). To this monohydrate of the title compound, acetonitrile (560 ml) was added, and the obtained mixture was then heated to approximately 70° C. The reaction mixture was stirred at this temperature for approximately 5 hours, and was then concentrated to approximately 320 ml. Thereafter, acetonitrile (320 ml) was added to the concentrated solution, and the obtained mixture was then cooled to approximately 25° C. The precipitated crystals were filtered and were then washed with acetonitrile (80 ml), followed by drying under reduced pressure, to obtain an anhydride of the title compound (55.74 g, yield: 82%).

후처리

  1. additionwas added dropwise
  2. temperatureThereafter, the reaction solution was cooled to approximately 25° C.
  3. stirringwas then stirred for approximately 1 hour
  4. filtrationThe precipitated crystals were filtered
  5. washwere then washed with 7% aqueous acetonitrile (300 ml)

출처 및 근거

ORD 기록
ord-2c952f17cbf14f4aac575dba11311159
출처 데이터셋
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09447118B2

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