Tert-butyl 1,4-diazepane-1-carboxylate → HCID 178436738, compound

HRID 1626269Notes

Reaction equation

HRID 1626269 reaction equation
[I-:1].[I-].[I-].[C:4]([N:11]1[CH2:17][CH2:16][CH2:15][N:14]([C:18]2[CH:19]=[C:20]([CH2:33][CH3:34])[C:21]3[C:30]([CH:31]=2)=[S+:29][C:28]2[C:23](=[C:24]([CH3:32])[CH:25]=[CH:26][CH:27]=2)[N:22]=3)[CH2:13][CH2:12]1)([O:6][C:7]([CH3:10])([CH3:9])[CH3:8])=[O:5].[C:35]([N:42]1[CH2:48][CH2:47][CH2:46][N:45](C2C=C(CC)C3C(C=2)=[S+]C2C(=C(C)C=CC=2)N=3)[CH2:44][CH2:43]1)([O:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:36].C(N1CCCN(C2C=C(CC)C3C(C=2)=[S+]C2C(=C(C)C=CC=2)N=3)CC1)(OC(C)(C)C)=O.C(N1CCCNCC1)(OC(C)(C)C)=O>CO>[I-:1].[C:4]([N:11]1[CH2:17][CH2:16][CH2:15][N:14]([C:18]2[CH:19]=[C:20]([CH2:33][CH3:34])[C:21]3[C:30]([CH:31]=2)=[S+:29][C:28]2[C:23](=[C:24]([CH3:32])[CH:25]=[C:26]([N:45]4[CH2:46][CH2:47][CH2:48][N:42]([C:35]([O:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:36])[CH2:43][CH2:44]4)[CH:27]=2)[N:22]=3)[CH2:13][CH2:12]1)([O:6][C:7]([CH3:10])([CH3:9])[CH3:8])=[O:5]

Participants

4

Reactant 2

HCID 2756058Tert-butyl 1,4-diazepane-1-carboxylateHCID 178436736HCID 178436736, compound

Product 1

HCID 178436738HCID 178436738, compound

Reagents, catalysts & solvents 1

HCID 887MethanolSolvent

Procedure

A solution of 3-(4-Boc-1,4-diazepan-1-yl)-1-ethyl-9-methyl-phenothiazin-5-ium triiodide (100 mg, 0.12 mmol) in methanol (10 mL) and 4-Boc-1,4-diazepane (100 mg, 0.5 mmol) was stirred for 4 h at room temperature. The resulting mixture was concentrated to dryness and purified by flash chromatography using the methanol-chloroform gradient to provide the title compound.

Workup

  1. concentrationThe resulting mixture was concentrated to dryness
  2. custompurified by flash chromatography

Sources & evidence

ORD record
ord-10af1b777b16405e88d9613898ba55e5
Source dataset
uspto-grants-2014_07
Patent number
US08785434B2

Reaction notes

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