Hydrochloric Acid → HCID 122512297, compound

HRID 1479019Notes

Reaction equation

HRID 1479019 reaction equation
[ClH:1].C(OC([N:9]1[CH2:22][C:12]2=[C:13]3[N:18]([N:19]=[C:11]2[CH2:10]1)[C:17]([CH3:20])=[CH:16][C:15]([CH3:21])=[N:14]3)=O)(C)(C)C>O1CCOCC1>[ClH:1].[CH3:21][C:15]1[CH:16]=[C:17]([CH3:20])[N:18]2[C:13]([N:14]=1)=[C:12]1[CH2:22][NH:9][CH2:10][C:11]1=[N:19]2

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 89650140HCID 89650140, compound

Product 1

HCID 122512297HCID 122512297, compound

Reagents, catalysts & solvents 1

HCID 312751,4-DioxaneSolvent2×

Procedure

A 4M solution of HCl in 1,4-dioxane (3.34 mL; 91.5 mmol; 29.9 eq.) was added to a solution of 5,7-dimethyl-1H,3H-2,4,7a,8-tetraaza-cyclopenta[a]indene-2-carboxylic acid tert-butyl ester (900 mg; 3.06 mmol; 1 eq.) in 1,4-dioxane (8 mL) and the resulting mixture was stirred at room temperature for 16 hours then concentrated in vacuo to afford the title compound (740 mg, quantitative) as a yellow solid which was used without further purification. UPLC/MS: (MS+) 189.2 ([M+H]±).

Workup

  1. concentrationthen concentrated in vacuo

Sources & evidence

ORD record
ord-b451f9034a6a4b21beb8d4024ca7363c
Source dataset
uspto-grants-2016_08
Patent number
US09403835B2

Reaction notes

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