HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Cortisol → N,N'-Dicyclohexylurea

HRID 27418
Notes
Print preview

Reaction equation

HRID 27418 reaction equation
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.C(Cl)Cl>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]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 5754CortisolHCID 6344DichloromethaneHCID 10868Dicyclohexylcarbodiimide

Product 1

HCID 4277N,N'-DicyclohexylureaYield 83%

Reagents, catalysts & solvents 1

HCID 1049PyridineSolvent

Procedure

To a solution of hydrocortisone (10 g, 0.028 mole) and N,N-(3'-oxapentamethylene)succinamic acid (5.16 g, 0.028 mole) in 50 ml pyridine was added dicyclohexylcarbodiimide (5.67 g, 0.028 mole). After the reaction was stirred 10 minutes, 50 ml CH2Cl2 was added to it to keep the suspension, which had formed, sufficiently fluid for stirring. The reaction was stirred overnight then filtered to give a residue of dicyclohexylurea which weighed 4.51 g (83% yield) and a filtrate which was concentrated in vacuo to a light off-white foam. The foam was in turn triturated (25 ml CH2Cl2, 3 hours) then filtered to give a residue weighing 6.4 g and a filtrate which was concentrated in vacuo to 10.4 g. The 10.4 g was in turn triturated (100 ml MeOH, overnight) then filtered to give a residue weighing 4.3 g. The residue was recrystallized from 200 ml EtOH to give a fine white crystalline product, which, after it was dried in vacuo (35° C., 2 hours), weighed 3.4 g: mp 223°-225° C.; NMR (DMSO-d6) δ5.55 (s, 1, O=C--CH=), 5.33 (s, 1, OH), 4.93 (ABq, 2, JAB=19 Hz, ΔνAB =19 Hz, O=C--CH2 --O), 4.28 (m, 2, CHOH), 3.50 (m, 8, N(CH2CH2)2O), 2.62 (s, 4, OCCH2CH2CO), 1.38 (s, 3, C--CH3), 0.78 (s, 3, C--CH3), 2.9-0.8 (m, 17, CH, CH2- ; IR (KBr) 3500-3300 cm-1 (s) (OH), 1710, 1660 and 1610 cm-1 (s) (C=O); [α]25D=+131, (C=0.5, dioxane); TLC (silica gel), 10% MeOH/Et2O) Rf 0.29.

Workup

  1. customwhich had formed
  2. stirringsufficiently fluid for stirring
  3. stirringThe reaction was stirred overnight
  4. filtrationthen filtered

Sources & evidence

ORD record
ord-24dbe3f11efb46fe918e53fee7ba5f23
Source dataset
uspto-grants-1980_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US04221787

Reaction notes

Loading…

On this pageParticipantsProcedureWorkupSources & evidenceReaction notes