4-Methylphenyl isocyanate → HCID 21101678, compound

HRID 1353445Notes

Reaction equation

HRID 1353445 reaction equation
[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]([N:13]3[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]3)=[CH:7][C:8]([NH2:12])=[N:9]2)=[CH:4][CH:3]=1.[CH3:19][C:20]1[CH:25]=[CH:24][C:23]([N:26]=[C:27]=[O:28])=[CH:22][CH:21]=1.C(N(C(C)C)CC)(C)C>>[NH2:12][C:8]1[CH:7]=[C:6]([N:13]2[CH2:18][CH2:17][N:16]([C:27]([NH:26][C:23]3[CH:24]=[CH:25][C:20]([CH3:19])=[CH:21][CH:22]=3)=[O:28])[CH2:15][CH2:14]2)[C:5]2[C:10](=[CH:11][C:2]([Cl:1])=[CH:3][CH:4]=2)[N:9]=1

Participants

4

Reactant 3

HCID 693254-Methylphenyl isocyanateHCID 81531DiisopropylethylamineHCID 211017487-Chloro-4-(1-piperazinyl)-2-quinolinamine

Product 1

HCID 21101678HCID 21101678, compound

Procedure

As described for example 159, 7-chloro-4-(1-piperazinyl)-2-quinolinamine, 4-methylphenyl isocyanate, and diisopropylethyl amine, are reacted to give the product as a white solid. LC-MS: 395 (M++1). 1H NMR (DMSO-d6) δ 2.25 (s, 3H), 3.0–3.1 (m, 4H), 3.64–3.75 (m, 4H), 6.3 (s, 1H), 6.5 (s, 2H), 7.0–7.1 (d, 2H), 7.1–7.2 (m, 1H), 7.3–7.45 (m, 3H), 7.75–7.85 (d, 1H), 8.5–8.6 (s, 1H).

Workup

  1. customare reacted

Sources & evidence

ORD record
ord-b6afbcc6400347a6b054da3d34c93bcc
Source dataset
uspto-grants-2007_05
Patent number
US07220856B2

Reaction notes

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