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

Tetrahydrofuran → N-(3-Methylbutyl)-5-t-butyloxycarbonylamino 6-cyclohexyl-1-hexen-4-ol-2-carboxamide

HRID 345910
Notes
Print preview

Reaction equation

HRID 345910 reaction equation
[CH3:1][CH:2]([CH3:11])[CH2:3][CH2:4][NH:5][C:6](=[O:10])[C:7]([CH3:9])=[CH2:8].[CH2:12]([Li])[CH2:13][CH2:14][CH3:15].[C:17]([O:21][C:22]([N:24](C1CCCCC1)[C@H](C=O)C)=[O:23])([CH3:20])([CH3:19])[CH3:18].C(Cl)(Cl)Cl.[C:39](OCC)(=O)C.[O:45]1[CH2:49][CH2:48][CH2:47][CH2:46]1>CCCCCC.CC(C)[O-].CC(C)[O-].CC(C)[O-].Cl[Ti+3]>[CH3:1][CH:2]([CH3:11])[CH2:3][CH2:4][NH:5][C:6]([C:7]([CH2:9][CH:49]([OH:45])[CH:48]([NH:24][C:22]([O:21][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:23])[CH2:47][CH:46]1[CH2:39][CH2:12][CH2:13][CH2:14][CH2:15]1)=[CH2:8])=[O:10]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 5

HCID 8028Tetrahydrofuran2×HCID 13877721Methacrylamide, N-(3-methylbutyl)-HCID 18606792Boc cyclohexylalaninalHCID 21584013Chloroform ethylacetateHCID 178418339Butyllithium

Product 1

HCID 13877724
N-(3-Methylbutyl)-5-t-butyloxycarbonylamino 6-cyclohexyl-1-hexen-4-ol-2-carboxamide

Reagents, catalysts & solvents 2

HCID 11673339ChlorotitaniumtriisopropoxideCatalystHCID 8058HexaneSolvent2×

Conditions

Temperature
0 °C

Procedure

A solution of N-(3-methylbutyl)-2-methylpropenamide (643 mg, 4.15 mmol) in 25 ml of dry tetrahydrofuran was cooled under an N2 atmosphere to -78° C. and treated dropwise with 3.28 ml (8.5 mmol) of n-butyl-lithium in hexane. The resulting solution was warmed to 0° C. for 20 minutes, recooled to -78° C. and treated with 6.2 mL (6.2 mmol) of chlorotitanium triisopropoxide in hexane. After again warming to 0° C. for 5 minutes, the dark solution was recooled to -78° C. treated with a solution of N-t-butyloxycarbonyl-cyclohexylalaninal (670 mg, 2.3 mmol) in 5 ml of tetrahydrofuran, stirred for 5 minutes at -78° C., warmed to 0° C. for 20 minutes and quenched with saturated aqueous ammonium chloride. The resulting suspension was treated with ca. 50 ml of ether, stirred until the salts became white, extracted with two 100 ml portions of ether, dried over MgSO4 and concentrated in vacuo. The crude mixture was separated by flash column chromatography using 4:1 chloroform/ethyl acetate to give 249 mg (25%) of the (4S,5S) product (Rf 0.44), 292 mg (31%) of the (4R,5S) product (Rf 0.36, 3:2 chloroform/ethyl acetate) and 184 mg (20%) of a ca. 1:1 mixture of the two products. Mass spectrum: M+ =410.

Workup

  1. customrecooled to -78° C.
  2. temperatureAfter again warming to 0° C. for 5 minutes
  3. customwas recooled to -78° C.
  4. temperaturewarmed to 0° C. for 20 minutes
  5. customquenched with saturated aqueous ammonium chloride
  6. additionThe resulting suspension was treated with ca. 50 ml of ether
  7. stirringstirred until the salts
  8. extractionextracted with two 100 ml portions of ether
  9. dry with materialdried over MgSO4
  10. concentrationconcentrated in vacuo
  11. customThe crude mixture was separated by flash column chromatography
  12. customto give

Sources & evidence

ORD record
ord-bfd223ee5835412e995e51a4c13a18de
Source dataset
uspto-grants-1991_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05059589

Reaction notes

Loading…

On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes