HCID 69340675, compound → HCID 58714284, compound

HRID 1241470Notes

Reaction equation

HRID 1241470 reaction equation
C([O:5][C:6](=[O:42])[CH2:7][CH2:8][CH2:9][CH2:10][N:11]1[C:17]2[CH:18]=[CH:19][C:20]([I:22])=[CH:21][C:16]=2[C:15](=[O:23])[N:14]([C@@H:24]([C:26]2[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][CH:27]=2)[CH3:25])[C@@H:13]([C:33]2[CH:38]=[CH:37][C:36]([Cl:39])=[CH:35][C:34]=2[OH:40])[C:12]1=[O:41])(C)(C)C.ClC1C=CC([C@@H]2N([C@@H](C3C=CC(Cl)=CC=3)C)C(=O)C3C=CC=CC=3N(CCCCC(O)=O)C2=O)=C(O)C=1>>[Cl:39][C:36]1[CH:37]=[CH:38][C:33]([C@@H:13]2[N:14]([C@@H:24]([C:26]3[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][CH:27]=3)[CH3:25])[C:15](=[O:23])[C:16]3[CH:21]=[C:20]([I:22])[CH:19]=[CH:18][C:17]=3[N:11]([CH2:10][CH2:9][CH2:8][CH2:7][C:6]([OH:42])=[O:5])[C:12]2=[O:41])=[C:34]([OH:40])[CH:35]=1

Participants

3

Reactant 2

HCID 69340675HCID 69340675, compoundHCID 69629912HCID 69629912, compound

Product 1

HCID 58714284HCID 58714284, compound

Procedure

The title compound was synthesized from 5-[(3S)-3-(4-chloro-2-hydroxyphenyl)-4-[(R)-1-(4-chlorophenyl)ethyl]-7-iodo-2,5-dioxo-1,4-benzodiazepin-1-yl]valeric acid tert-butyl ester following the procedure for example 1, step b: 1H NMR (400 MHz, Cl3CD) δ 7.99 (d, J=2.1 Hz, 1H), 7.42 (m, 3H), 7.22 (d, J=8.5 Hz, 2H), 6.62 (d, J=8.6 Hz, 1H), 6.50 (d, J=1.9 Hz, 1H), 6.34 (m, 2H), 6.09 (m, 1H), 5.26 (s, 1H), 3.87 (m, 1H), 3.74 (m, 1H), 2.39 (m, 2H), 1.75 (m, 7H). Mass spectrum (LCMS, ESI pos.): Calcd for C28H25Cl2IN2O5: 666.02; found 666.6 (M+H); together with 21 mg 5-[(3S)-3-(4-chloro-2-hydroxyphenyl)-4-[(R)-1-(4-chlorophenyl)ethyl]-2,5-dioxo-1,4-benzodiazepin-1-yl]valeric acid:

Sources & evidence

ORD record
ord-e697228a6a944bbd830ae1af3d1c4064
Source dataset
uspto-grants-2006_10
Patent number
US07115598B2

Reaction notes

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