1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride → HCID 20789001, compound

HRID 1353879Notes

Reaction equation

HRID 1353879 reaction equation
[C:1]([O:4][C@H:5]([C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)[C:6]([OH:8])=O)(=[O:3])[CH3:2].Cl.CN(C)CCCN=C=NCC.[O:27]1[CH2:32][CH2:31][CH2:30][CH2:29][CH:28]1[N:33]1[C:41]2[C:36](=[CH:37][C:38]([C:42]3[N:46]=[CH:45][N:44]([C:47]([C:60]4[CH:65]=[CH:64][CH:63]=[CH:62][CH:61]=4)([C:54]4[CH:59]=[CH:58][CH:57]=[CH:56][CH:55]=4)[C:48]4[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=4)[N:43]=3)=[CH:39][CH:40]=2)[C:35]([C:66]2[CH:67]=[C:68]([NH2:72])[CH:69]=[CH:70][CH:71]=2)=[N:34]1>ClCCl>[C:1]([O:4][C@@H:5]([C:6](=[O:8])[NH:72][C:68]1[CH:69]=[CH:70][CH:71]=[C:66]([C:35]2[C:36]3[C:41](=[CH:40][CH:39]=[C:38]([C:42]4[N:46]=[CH:45][N:44]([C:47]([C:48]5[CH:49]=[CH:50][CH:51]=[CH:52][CH:53]=5)([C:54]5[CH:59]=[CH:58][CH:57]=[CH:56][CH:55]=5)[C:60]5[CH:65]=[CH:64][CH:63]=[CH:62][CH:61]=5)[N:43]=4)[CH:37]=3)[N:33]([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32][O:27]3)[N:34]=2)[CH:67]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)(=[O:3])[CH3:2]

Participants

5

Reactant 3

HCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 273381451019-43-3HCID 211011823-(1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine

Product 1

HCID 20789001HCID 20789001, compound

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent2×

Procedure

To a solution of (R)-2-acetoxy-2-phenylacetic acid (0.097 g, 0.498 mmol) in 2.0 mL of dichloromethane, was added 1-(3-dimethylaminopropyl)-3-ethyl carbodiimide hydrochloride (EDCI) as a solid (0.100 g, 0.520 mmol). The solution was stirred at room temperature for 10 min before 3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine (0.150 g, 0.248 mmol), dissolved in 1 mL of dichloromethane, was added. The reaction was stirred at room temperature for 2 hours. The reaction mixture was then partitioned between dichloromethane and water. (Yield not calculated) ES-MS (m/z) 779 [M+H]+.

Workup

  1. additionwas added
  2. customThe reaction mixture was then partitioned between dichloromethane and water
  3. custom(Yield not

Sources & evidence

ORD record
ord-b6bafa94fd864eeeaf6079e8051bf1b3
Source dataset
uspto-grants-2007_05
Patent number
US07220771B2

Reaction notes

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