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

Ammonium Chloride → Methyl 5-(2,4-dimethoxypyridin-3-yl)-5-(1,1-dimethylethylsulfinamido)pentanoate

HRID 594340
Notes
Print preview

Reaction equation

HRID 594340 reaction equation
Br[C:2]1[C:3]([O:10][CH3:11])=[N:4][CH:5]=[CH:6][C:7]=1[O:8][CH3:9].[Li]CCCC.[C:17]([S:21]([N:23]=[CH:24][CH2:25][CH2:26][CH2:27][C:28]([O:30][CH3:31])=[O:29])=[O:22])([CH3:20])([CH3:19])[CH3:18].[NH4+].[Cl-]>C1COCC1.O.CCOCC>[CH3:11][O:10][C:3]1[C:2]([CH:24]([NH:23][S:21]([C:17]([CH3:20])([CH3:19])[CH3:18])=[O:22])[CH2:25][CH2:26][CH2:27][C:28]([O:30][CH3:31])=[O:29])=[C:7]([O:8][CH3:9])[CH:6]=[CH:5][N:4]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 4

HCID 25517Ammonium ChlorideHCID 134797643-Bromo-2,4-dimethoxypyridineHCID 74336636Methyl 5-((tert-butylsulfinyl)imino)pentanoateHCID 178418339Butyllithium

Product 1

HCID 69082454Methyl 5-(2,4-dimethoxypyridin-3-yl)-5-(1,1-dimethylethylsulfinamido)pentanoate

Reagents, catalysts & solvents 3

HCID 962
Water
Solvent
HCID 3283Diethyl EtherSolvent
HCID 8028TetrahydrofuranSolvent2×

Conditions

Temperature
-78 °C

Procedure

A cooled (−78° C.) yellow solution of commercially available 3-bromo-2,4-dimethoxypyridine (1.490 g; 6.83 mmol) in anh. THF (42 ml), under nitrogen, was treated dropwise with a solution of 1.6 M n-BuLi in hexanes (4.3 ml; 6.88 mmol). The resulting orange solution was further stirred at −78° C. for 10 min. A yellow solution of methyl 5-((tert-butylsulfinyl)imino)pentanoate (1.450 g; 6.21 mmol) in anh. THF (5 ml) was then added to the cooled reaction mixture, and stirring at −78° C. was continued for 65 min. The resulting orange reaction mixture was treated successively with aq. sat. NH4Cl (22 ml), Et2O (75 ml) and water (20 ml). The separated orange organic layer was then washed with brine (30 ml), dried over anh. MgSO4, filtered, and concentrated to dryness under reduced pressure. Purification by FC (DCM/MeOH=30/1) afforded methyl 5-(2,4-dimethoxypyridin-3-yl)-5-(1,1-dimethylethylsulfinamido)pentanoate as a yellow oil. LC-MS (conditions B): tR=0.75 min.; [M+H]+: 372.82 g/mol.

Workup

  1. stirringstirring at −78° C.
  2. waitwas continued for 65 min
  3. washThe separated orange organic layer was then washed with brine (30 ml)
  4. dry with materialdried over anh. MgSO4
  5. filtrationfiltered
  6. concentrationconcentrated to dryness under reduced pressure
  7. customPurification by FC (DCM/MeOH=30/1)

Sources & evidence

ORD record
ord-59a851a4261b48e3b59bf950aed51108
Source dataset
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09242970B2

Reaction notes

Loading…

On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes