HCID 20755374, compound → HCID 20755353, compound

HRID 22880Notes

Reaction equation

HRID 22880 reaction equation
C(OC(=O)C1(C)C(C(C#CCC2C=CC=CC=2)N2CC3C=CC=CC=3N[SH2]2)=CC(=O)CC1=O)(C)(C)C.[C:37]([O:41][C:42](=[O:73])[C:43]1[CH:48]=[CH:47][C:46]([CH2:49][N:50]2[C:55](=[O:56])[NH:54][C:53]3[CH:57]=[CH:58][C:59]([C:61]#[C:62][CH2:63][CH2:64][C:65]4[CH:70]=[CH:69][CH:68]=[CH:67][CH:66]=4)=[CH:60][C:52]=3[S:51]2(=[O:72])=[O:71])=[CH:45][CH:44]=1)([CH3:40])([CH3:39])[CH3:38]>>[C:37]([O:41][C:42](=[O:73])[C:43]1[CH:44]=[CH:45][C:46]([CH2:49][N:50]2[C:55](=[O:56])[NH:54][C:53]3[CH:57]=[CH:58][C:59]([C:61]#[C:62][CH2:63][CH2:64][C:65]4[CH:66]=[CH:67][CH:68]=[CH:69][CH:70]=4)=[CH:60][C:52]=3[S:51]2(=[O:71])=[O:72])=[CH:47][CH:48]=1)([CH3:40])([CH3:38])[CH3:39].[O:72]=[S:51]1(=[O:71])[C:52]2[CH:60]=[C:59]([C:61]#[C:62][CH2:63][CH2:64][C:65]3[CH:70]=[CH:69][CH:68]=[CH:67][CH:66]=3)[CH:58]=[CH:57][C:53]=2[NH:54][C:55](=[O:56])[N:50]1[CH2:49][C:46]1[CH:45]=[CH:44][C:43]([C:42]([OH:73])=[O:41])=[CH:48][CH:47]=1

Participants

4

Reactant 2

HCID 20755374HCID 20755374, compoundHCID 178450753HCID 178450753, compound

Product 2

HCID 20755353HCID 20755353, compoundHCID 20755374HCID 20755374, compound

Procedure

When in procedure of Example 15, Step (5), 4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl-1,4-dihydro-2H-2λ4-benzo[1,2,6]thiadiazin-3-ylmethyl]benzoic acid tert-butyl ester was replaced with 4-[1,1,3-trioxo-7-(4-phenyl-but-1-ynyl)-3,4-dihydro-1H-1λ6-benzo[1,2,4]thiadiazin-2-ylmethyl]-benzoic acid tert-butyl ester, the title compound 4-[1,1,3-trioxo-7-(4-phenyl-but-1-ynyl)-3,4-dihydro-1H-1λ6-benzo[1,2,4]thiadiazin-2-ylmethyl]-benzoic acid was obtained as a white solid. 1H-NMR (CDCl3); δ 10.95 (s, 1H), 7.90 (d, 2H), 7.69 (s, 1H), 7.39 (m, 3H), 7.16 (m, 7H), 4.98 (s, 2H), 2.82 (t, 2H), and 2.60 (t, 2H). MS: M++1=461.0 Da

Sources & evidence

ORD record
ord-03c959cb52b6491487936c6cdcae1f0f
Source dataset
uspto-grants-2005_02
Patent number
US06849648B2

Reaction notes

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