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Cortisol → N,N'-Dicyclohexylurea

HRID 27421
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HRID 27421 반응식
C[C@@]12[C@H]3[C@@H](O)C[C@]4(C)[C@@](O)(C(CO)=O)CC[C@H]4[C@@H]3CCC1=CC(=[O:6])CC2.[CH:27]1([N:33]=[C:34]=[N:35][CH:36]2[CH2:41][CH2:40][CH2:39][CH2:38][CH2:37]2)[CH2:32][CH2:31][CH2:30][CH2:29][CH2:28]1.ClCCl>N1C=CC=CC=1>[C:34]([NH:33][CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1)([NH:35][CH:36]1[CH2:41][CH2:40][CH2:39][CH2:38][CH2:37]1)=[O:6]
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참가 물질

5

반응물 3

HCID 5754CortisolHCID 6344DichloromethaneHCID 10868Dicyclohexylcarbodiimide

생성물 1

HCID 4277N,N'-Dicyclohexylurea수율 84%

시약·촉매·용매 1

HCID 1049Pyridine용매

실험 절차

To a solution of hydrocortisone (3.62 g, 0.01 mole) and N,N-(N'-methyl-3'-azapentamethylene)succinamic acid (2.00 g, 0.01 mole) in 15 ml pyridine at room temperature was added dicyclohexylcarbodiimide (2.00 g, 0.01 mole). After stirring the reaction mixture 10 minutes, 25 ml dichloromethane was added to it to keep the suspension, which had resulted, sufficiently fluid for stirring. After stirring overnight, the reaction was filtered. The residue was washed twice with CH2Cl2 and air dried to give 1.65 g (84% yield) dicyclohexylurea. The filtrate was concentrated in vacuo to give a light brown foam which was in turn triturated 2 hours with 10 ml CH2Cl2 to give a suspension which was filtered. The residue was dried in the vacuum oven 3 hours at 40° C. after a preliminary NMR showed contamination of the product with CH2Cl2. The resulting finely crystalline, off-white powder was the desired product: 2.70 g, 51% yield; mp 159°-163° C.; NMR (DMSO-d6) δ5.53 (s, 1, O=C-CH=C-), 5.32 (m, 1, C-OH), 4.91 (ABq, 2, JAB=17 Hz, ΔνAB =18 Hz, O=C-CH2 -O), 4.29 (m, 2, CH-OH), 3.41 (m, 8, -N(CH2CH2)N-), 2.59 (s, 3, N-CH3), 1.37 (s, 3, C-CH3), 0.78 (s, 3, C-CH3), 2.7-0.8 (m, 21, CH, CH2); IR (KBr) 3400 cm-1 (s) (OH), 1730 cm-1 and 1710 cm-1 (s) (C-C=O and O-C=O) and 1640 and 1615 cm-1 (s) (O=C-CH=C, N-C=O); [α]24D=+122° (C=0.5, dioxane); TLC (silica gel, MeOH) Rf 0.27.

후처리

  1. additionwas added to it
  2. customwhich had resulted
  3. stirringAfter stirring overnight
  4. filtrationthe reaction was filtered
  5. washThe residue was washed twice with CH2Cl2 and air
  6. customdried

출처 및 근거

ORD 기록
ord-01984a75f36d472e8d9120986ef889a4
출처 데이터셋
uspto-grants-1980_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04221787

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