HCID 9915307, compound → HCID 22842419, compound

HRID 1464801Notes

Reaction equation

HRID 1464801 reaction equation
[C:1]([NH:16][C:17]1[CH:27]=[C:26]2[C:20]([C:21]([Cl:37])=[C:22]([O:28][CH2:29][CH2:30][C:31]3C=CC=CC=3)[O:23][C:24]2=[O:25])=[CH:19][CH:18]=1)(=[O:15])[CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]1[C@@H:14]2[C@@H:9]([NH:10][C:11]([NH:13]2)=[O:12])[CH2:8][S:7]1.NC1C=C2C(C(Cl)=C(OCCC)OC2=O)=CC=1>O>[C:1]([NH:16][C:17]1[CH:27]=[C:26]2[C:20]([C:21]([Cl:37])=[C:22]([O:28][CH2:29][CH2:30][CH3:31])[O:23][C:24]2=[O:25])=[CH:19][CH:18]=1)(=[O:15])[CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]1[C@@H:14]2[C@@H:9]([NH:10][C:11]([NH:13]2)=[O:12])[CH2:8][S:7]1

Participants

4

Reactant 2

HCID 9915307HCID 9915307, compoundHCID 15022011HCID 15022011, compound

Product 1

HCID 22842419HCID 22842419, compoundYield 20%

Reagents, catalysts & solvents 1

HCID 962WaterSolvent

Procedure

This compound was prepared similarly as 7-biotinylamino-4-chloro-3-(2-phenylethoxy)isocoumarin from biotin acid chloride and 7-amino-4-chloro-3-propyloxyisocoumarin, yield 20%, mp 127°-131° C., NMR was consistent with the assigned structure, mass spectra (FAB+) m/e=502 (M+Na+1). Anal. Calc. for C22H26N3O5ClS.H2O: C, 53.06; H, 5.67; N, 8.44; Cl, 7.12. Found: C, 53.30; H, 5.67; N, 8.49; Cl, 7.03.

Sources & evidence

ORD record
ord-6040fe2265e04b25bc4333616c8b68c1
Source dataset
uspto-grants-1994_04
Patent number
US05306824

Reaction notes

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