Trifluoroacetic acid → HCID 25049861, compound

HRID 1787439Notes

Reaction equation

C([NH:5][S:6]([C:9]1[CH:14]=[CH:13][C:12]([C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([C:21]3[CH2:22][C:23](=[O:39])[NH:24][C:25]4[CH:31]=[C:30]([C:32]5[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=5[F:38])[CH:29]=[CH:28][C:26]=4[N:27]=3)[CH:16]=2)=[CH:11][CH:10]=1)(=[O:8])=[O:7])(C)(C)C.C(O)(C(F)(F)F)=O>>[F:38][C:33]1[CH:34]=[CH:35][CH:36]=[CH:37][C:32]=1[C:30]1[CH:29]=[CH:28][C:26]2[N:27]=[C:21]([C:17]3[CH:16]=[C:15]([C:12]4[CH:13]=[CH:14][C:9]([S:6]([NH2:5])(=[O:7])=[O:8])=[CH:10][CH:11]=4)[CH:20]=[CH:19][CH:18]=3)[CH2:22][C:23](=[O:39])[NH:24][C:25]=2[CH:31]=1

Participants

Reactant 2

HCID 6422Trifluoroacetic acid

HCID 67362454HCID 67362454, compound

Product 1

HCID 25049861HCID 25049861, compound

Procedure

) The title compound was prepared from the above described 3′-[7-(2-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl]-biphenyl-4-sulfonic acid tert-butylamide (310 mg, 0.573 mmol, 45% purity) and TFA (5 mL) according to the general procedure I step 2. Obtained as an off-white solid (20 mg, 13%, 80% purity). MS (ISP) 486.0 [(M+H)+]; mp 240-250° C. (dec).

Workup

customObtained as an off-white solid (20 mg, 13%, 80% purity)

Sources & evidence

ORD record: ord-70d944b056f64f358edc2f3181205a0a
Source dataset: uspto-grants-2009_03
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07511033B2

Reaction notes

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