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Ammonia → 5-Chloro-9H-pyrimido[4,5-b]indole-2,4 diamine propanamide

HRID 1878512
Notes
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Reaction equation

HRID 1878512 reaction equation
CO.[NH3:3].Cl[C:5]1[C:17]2[C:16]3[C:11](=[CH:12][CH:13]=[CH:14][C:15]=3[Cl:18])[NH:10][C:9]=2[N:8]=[C:7]([NH:19][C:20](=[O:25])[C:21](C)(C)[CH3:22])[N:6]=1.C(Cl)(Cl)Cl.CO>C(=O)=O.CC(C)=O>[C:20]([NH2:19])(=[O:25])[CH2:21][CH3:22].[Cl:18][C:15]1[CH:14]=[CH:13][CH:12]=[C:11]2[C:16]=1[C:17]1[C:5]([NH2:3])=[N:6][C:7]([NH2:19])=[N:8][C:9]=1[NH:10]2
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 222Ammonia2×HCID 887Methanol3×HCID 21584188Chloroform methanolHCID 45103998HCID 45103998, compound

Product 1

HCID 672433745-Chloro-9H-pyrimido[4,5-b]indole-2,4 diamine propanamideYield 39%

Reagents, catalysts & solvents 2

HCID 180
Acetone
Solvent
HCID 280Carbon DioxideSolvent

Conditions

Temperature
130 °C

Procedure

5 mL methanol was saturated with ammonia in the plastic container (of the sealed tube reaction apparatus), which was cooled in dry ice and acetone. 10 (200 mg, 0.6 mmol) was added to this methanol saturated with ammonia. The solution was stirred at 130° C. for 2 days. Silica gel was added to the reaction mixture and methanol was removed under reduced pressure to make a plug. The plug was transferred on top of a column packed with silica gel, ten times the weight of plug, eluted with chloroform and 1% methanol in chloroform. Fractions containing the product 10 (TLC) were pooled and evaporated to give a solid. The overall yield was 39%. TLC Rf 0.43 (chloroform-methanol 5:1), m.p. 245.2-246.3° C., 1H NMR: δ 6.15 (bs, 2H, 4-NH2, exch); 6.85 (bs, 2H, 2-NH2, exch), 7.03-7.24 (m, 3H, phenyl); 11.54 (bs, 1H, 9-NH, exch). Anal. Calculated (C10H8ClN5): C, 51.40; H, 3.38; N, 29.97; Cl, 15.17. Found: C, 51.58; H, 3.46; N, 29.86; Cl, 15.05.

Workup

  1. customof the sealed tube reaction apparatus), which
  2. customwas removed under reduced pressure
  3. washeluted with chloroform and 1% methanol in chloroform
  4. additionFractions containing the product 10 (TLC)
  5. customevaporated
  6. customto give a solid

Sources & evidence

ORD record
ord-05aea4cb212f4fef899f86c587d47a73
Source dataset
uspto-grants-2012_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08314114B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes