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Diisopropylamine → N-(4-ethynyl-2-nitro-phenyl)-N,N',N'-trimethyl-propane-1,3-diamine

HRID 1361579
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HRID 1361579 반응식
Br[C:2]1[CH:7]=[CH:6][C:5]([N:8]([CH3:15])[CH2:9][CH2:10][CH2:11][N:12]([CH3:14])[CH3:13])=[C:4]([N+:16]([O-:18])=[O:17])[CH:3]=1.P(C(C)(C)C)(C(C)(C)C)[C:20](C)(C)[CH3:21].[H+].[B-](F)(F)(F)F.N(C(C)C)C(C)C.C[Si](C#C)(C)C.C([O-])([O-])=O.[K+].[K+]>CO.C1C=CC(C#N)=CC=1.C1C=CC(C#N)=CC=1.Cl[Pd]Cl.[Cu]I.O1CCOCC1>[C:20]([C:2]1[CH:7]=[CH:6][C:5]([N:8]([CH3:15])[CH2:9][CH2:10][CH2:11][N:12]([CH3:14])[CH3:13])=[C:4]([N+:16]([O-:18])=[O:17])[CH:3]=1)#[CH:21]
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참가 물질

11

반응물 6

HCID 7912DiisopropylamineHCID 11430Potassium CarbonateHCID 28118Tetrafluoroboric acidHCID 66111TrimethylsilylacetyleneHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 16109013HCID 16109013, 화합물

생성물 1

HCID 86602587
N-(4-ethynyl-2-nitro-phenyl)-N,N',N'-trimethyl-propane-1,3-diamine

시약·촉매·용매 4

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)촉매HCID 498840Bis(benzonitrile)palladium chloride촉매HCID 887Methanol용매HCID 312751,4-Dioxane용매

실험 절차

To N-(4-bromo-2-nitro-phenyl)-N,N′,N′-trimethyl-propane-1,3-diamine (940 mg, 2.97 mmol), Pd(PhCN)2Cl2 (34 mg, 0.09 mmol), CuI (11 mg, 0.06 mmol) and dioxane (4 mL) was added P(tBu)3.HBF4 (53 mg, 0.18 mmol), iPr2NH (0.50 mL, 3.6 mmol) and (trimethylsilyl)acetylene (0.49 mL, 3.6 mmol). The mixture was stirred for 3.5 h at RT, diluted with MeOH and stirred at RT with excess saturated aqueous K2CO3 for 2 h. The mixture was filtered through a pad of activated charcoal and concentrated to yield N-(4-ethynyl-2-nitro-phenyl)-N,N′,N′-trimethyl-propane-1,3-diamine. MS m/z=262 [M+1]+. Calc'd for C14H19N3O2: 261.33.

후처리

  1. filtrationThe mixture was filtered through a pad of activated charcoal
  2. concentrationconcentrated

출처 및 근거

ORD 기록
ord-b1a14b5e67e84a3383486d37fafc3367
출처 데이터셋
uspto-grants-2011_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07880000B2

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