Acetic Acid → HCID 21193924, compound

HRID 1067472Notes

Reaction equation

C(Cl)[Cl:2].[CH3:4]O.Cl.Cl.[C:8]([C:11]1[CH:16]=[CH:15][C:14]([NH:17][CH2:18][C:19]2[N:23]([CH3:24])[C:22]3[CH:25]=[CH:26][C:27]([C:29]([NH:38][C:39](CC(OCC)=O)=O)([C:31]([N:33]4[CH2:37][CH2:36][CH2:35][CH2:34]4)=[O:32])[CH3:30])=[CH:28][C:21]=3[N:20]=2)=[CH:13][CH:12]=1)(=[NH:10])[NH2:9].[C:47]([OH:50])(=[O:49])C>>[ClH:2].[C:8]([C:11]1[CH:12]=[CH:13][C:14]([NH:17][CH2:18][C:19]2[N:23]([CH3:24])[C:22]3[CH:25]=[CH:26][C:27]([C:29]([NH:38][CH2:39][C:47]([O:50][CH3:4])=[O:49])([C:31]([N:33]4[CH2:37][CH2:36][CH2:35][CH2:34]4)=[O:32])[CH3:30])=[CH:28][C:21]=3[N:20]=2)=[CH:15][CH:16]=1)(=[NH:10])[NH2:9]

Participants

Reactant 4

HCID 176Acetic Acid

HCID 313Hydrochloric Acid3×

HCID 21193840HCID 21193840, compound

HCID 21226129Dichloromethane methanol

Product 1

HCID 21193924HCID 21193924, compoundYield 99%

Procedure

Yield: 99% of theory, Rf value: 0.21 (silica gel; methylene chloride/methanol=4:1+1% glacial acetic acid); C26H33N7O3×HCl (491.60/528.05). mass spectrum: ( M + H ) + = 492 ( M - H + HCl ) - = 526 / 8 ⁢ ⁢ ( Cl ) ( M - H + 2 ⁢ HCl ) - = 562 / 4 / 8 ⁢ ⁢ ( Cl 2 )

Sources & evidence

ORD record: ord-d1bb3dd592dd412f996396796e459f11
Source dataset: uspto-grants-2001_06
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US06248770B1

Reaction notes

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