2-Propanesulfonyl chloride → HCID 67390057, compound

HRID 1020373Notes

Reaction equation

C1(CS(N2C3C(=CC(NC(C4OC(N5CCCC(C)C5)=NC=4C(F)(F)F)=O)=CC=3)C=C2)(=O)=O)C=CC=CC=1.[NH:39]1[C:47]2[C:42](=[CH:43][C:44]([NH:48][C:49]([C:51]3[O:55][C:54]([N:56]4[CH2:61][CH2:60][CH2:59][CH:58]([CH3:62])[CH2:57]4)=[N:53][C:52]=3[C:63]([F:66])([F:65])[F:64])=[O:50])=[CH:45][CH:46]=2)[CH:41]=[N:40]1.[CH:67]([S:70](Cl)(=[O:72])=[O:71])([CH3:69])[CH3:68]>>[CH3:68][CH:67]([S:70]([N:39]1[C:47]2[C:42](=[CH:43][C:44]([NH:48][C:49]([C:51]3[O:55][C:54]([N:56]4[CH2:61][CH2:60][CH2:59][CH:58]([CH3:62])[CH2:57]4)=[N:53][C:52]=3[C:63]([F:66])([F:65])[F:64])=[O:50])=[CH:45][CH:46]=2)[CH:41]=[N:40]1)(=[O:72])=[O:71])[CH3:69]

Participants

Reactant 3

HCID 824082-Propanesulfonyl chloride

HCID 67390510HCID 67390510, compound

HCID 67391206HCID 67391206, compound

Product 1

HCID 67390057HCID 67390057, compound

Procedure

Compound 53 was prepared by the general procedure for compound 46, by using compound 49 and isopropylsulfonyl chloride as starting materials. 1H NMR (500 MHz, DMSO-d6) δ 10.36 (br s, 1H), 8.63 (br s, 1H), 8.36 (br s, 1H), 7.97 (br d, 1H, J=9.1 Hz), 7.83 (dm, 1H, J=8.8 Hz), 4.12 (m, 2H), 3.87 (h, 1H, J=7.0 Hz), 3.07 (br t, 1H, J=13.0 Hz), 2.77 (t, 1H, J=11.8 Hz), 1.78 (m, 2H), 1.68 (m, 1H), 1.55 (m, 1H), 1.18 (d, 6H, J=7.0 Hz), 1.16 (m, 1H), 0.95 (d, 3H, J=6.6 Hz). MS (M+1): 500.

Sources & evidence

ORD record: ord-ca92919379464f1fa1f9f97871556235
Source dataset: uspto-grants-2014_05
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08716312B2

Reaction notes

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