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Hydrochloric Acid → 5-Methyl-2,3,4,5-tetrahydro-1,4-benzothiazepine

HRID 539955
Notes
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Reaction equation

HRID 539955 reaction equation
[CH3:1][C:2]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[S:6][CH2:5][CH2:4][N:3]=1.[BH4-].[Na+].Cl.[OH-].[Na+]>CO.O>[CH3:1][CH:2]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[S:6][CH2:5][CH2:4][NH:3]1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 313Hydrochloric AcidHCID 14798Sodium HydroxideHCID 4311764Sodium borohydrideHCID 200722975-Methyl-2,3-dihydro-1,4-benzothiazepine

Product 1

HCID 866913675-Methyl-2,3,4,5-tetrahydro-1,4-benzothiazepineYield 93.5%

Reagents, catalysts & solvents 2

HCID 887
Methanol
Solvent
HCID 962WaterSolvent

Procedure

To a solution of 5-methyl-2,3-dihydro-1,4-benzothiazepine (5.92 g, 33.40 mmol) in methanol (100 mL) was added a solution of sodium borohydride (3.16 g, 83.49 mmol) in water (60 mL). After being stirred at room temperature overnight, the reaction mixture was acidified with concentrated hydrochloric acid, and then stirred at room temperature for 30 minutes. After being adjusted to pH 9 with an aqueous solution of sodium hydroxide, the resulting mixture was extracted with ethyl acetate (60 mL×3). The combined organic layers were washed by brine (100 mL), dried over anhydrous sodium sulfate, and concentrated in vacuo to afford 5.6 g of 5-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepine, MS obsd. (ESI+) [(M+H)+] 180.

Workup

  1. stirringstirred at room temperature for 30 minutes
  2. extractionthe resulting mixture was extracted with ethyl acetate (60 mL×3)
  3. washThe combined organic layers were washed by brine (100 mL)
  4. dry with materialdried over anhydrous sodium sulfate
  5. concentrationconcentrated in vacuo

Sources & evidence

ORD record
ord-3da58bb64faf42fbaaac30334a3f6c04
Source dataset
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08871756B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes