Urea → HCID 25051597, compound

HRID 1818020Notes

Reaction equation

HRID 1818020 reaction equation
NC(N)=O.[F:5][C:6]1[CH:14]=[CH:13][CH:12]=[C:11]2[C:7]=1[CH2:8][CH:9]([N:15]=[C:16]=[O:17])[CH2:10]2.Cl.[F:19][CH2:20][CH2:21][NH2:22].C(N(C(C)C)CC)(C)C>>[F:19][CH2:20][CH2:21][NH:22][C:16]([NH:15][CH:9]1[CH2:8][C:7]2[C:11](=[CH:12][CH:13]=[CH:14][C:6]=2[F:5])[CH2:10]1)=[O:17]

Participants

5

Reactant 4

HCID 1176UreaHCID 9995Ethanamine, 2-fluoro-, hydrochlorideHCID 81531DiisopropylethylamineHCID 83827703HCID 83827703, compound

Product 1

HCID 25051597HCID 25051597, compound

Procedure

The title urea was generated from 4-fluoro-2-isocyanato-indan (11.10 mmol), fluoroethyl amine hydrochloride (1.10 g, 90% purity, 9.95 mmol) and diisopropylethyl amine (3.90 mL, 22.39 mmol) according to the protocols as outlined in general procedure G. Spectroscopic data: 1H NMR (300 MHz, DMSO-d6) δ 2.67-2.80 (m, 2H), 3.12-3.28 (m, 3H), 3.31-3.37 (m, 1H), 4.23-4.55 (m, 3H), 6.0 (t, 1H, J=6.7 Hz), 6.4 (d, 1H, J=7.0 Hz), 7.0 (t, 1H, J=9.1 Hz), 7.1 (d, 1H, J=7.3 Hz), 7.15-7.24 (m, 1H).

Sources & evidence

ORD record
ord-c139bca7de4444e88abf25dc0baea505
Source dataset
uspto-grants-2009_10
Patent number
US07598417B2

Reaction notes

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