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Hydrochloric Acid → HCID 70043387, compound

HRID 487430
Notes
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Reaction equation

HRID 487430 reaction equation
C([O:5][C:6](=[O:34])[CH2:7][N:8]1[CH2:13][CH2:12][N:11]([C:14](=[O:27])[CH2:15][NH:16][C:17]([O:19]CC2C=CC=CC=2)=O)[C@@H:10]([CH2:28]C(OC)=O)[C:9]1=[O:33])(C)(C)C.C(OC([NH:42][CH2:43][CH2:44][C:45]1[CH:53]=[CH:52][C:48](C(O)=O)=[CH:47][CH:46]=1)=O)(C)(C)C.C(P(=O)([O:60][CH2:61]C)OCC)#N.[ClH:64].[CH3:65][OH:66]>CN(C)C=O.C(OCC)(=O)C.[C].[Pd].C(N(CC)CC)C>[ClH:64].[NH2:42][CH2:43][CH2:44][C:45]1[CH:53]=[CH:52][C:48]([C:17]([NH:16][CH2:15][C:14]([N:11]2[CH2:12][CH2:13][N:8]([CH2:7][C:6]([OH:5])=[O:34])[C:9](=[O:33])[C@@:10]2([CH3:28])[C:65]([O:60][CH3:61])=[O:66])=[O:27])=[O:19])=[CH:47][CH:46]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

10

Reactant 5

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 76257Diethyl cyanophosphonateHCID 166409054-(2-{[(Tert-butoxy)carbonyl]amino}ethyl)benzoic acidHCID 54519104(S)-4-(N-benzyloxycarbonylglycyl)-3-methoxycarbonylmethyl-2-oxo-piperazine-1-acetic acid t-butyl ester

Product 1

HCID 70043387
HCID 70043387, compound

Reagents, catalysts & solvents 4

HCID 178418390HCID 178418390, compoundCatalystHCID 6228DimethylformamideSolventHCID 8471TriethylamineSolventHCID 8857Ethyl AcetateSolvent

Procedure

In 10 ml of methanol was dissolved 500 mg of (S)-4-(N-benzyloxycarbonylglycyl)-3-methoxycarbonylmethyl-2-oxo-piperazine-1-acetic acid t-butyl ester obtained in Working Example 58. To the solution was added 100 mg of 10% palladium-carbon, and the mixture was stirred for one hour at room temperature. The catalyst was filtered off, and the filtrate was concentrated to give an oily product. The oily product was dissolved in 5 ml of dimethylformamide, to which was added 290 mg of 4-(2-t-butoxycarbonylaminoethyl)benzoic acid. The mixture was cooled with ice, to which were added dropwise 240 mg of diethyl cyanophosphonate then 300 mg of triethylamine. The mixture was stirred for one hour. The reaction mixture was diluted with ethyl acetate, washed with a 5% aqueous solution of potassium hydrogensulfate, then with a 10% aqueous solution of sodium hydrogencarbonate, dried over anhydrous magnesium sulfate, then concentrated under reduced pressure. The resultant oily product was dissolved in 5 ml of methylene chloride. To the solution was added 5 ml of trifluoroacetic acid, and the mixture was stirred for one hour at room temperature. The reaction mixture was concentrated to give a crude product, which was made into hydrochloride with 1N HCl, followed by purification by means of C18 --ODS column to afford 300 mg of the title compound as colorless powder.

Workup

  1. customobtained in Working Example 58
  2. filtrationThe catalyst was filtered off
  3. concentrationthe filtrate was concentrated
  4. customto give an oily product
  5. temperatureThe mixture was cooled with ice, to which
  6. stirringThe mixture was stirred for one hour
  7. washwashed with a 5% aqueous solution of potassium hydrogensulfate
  8. dry with materialwith a 10% aqueous solution of sodium hydrogencarbonate, dried over anhydrous magnesium sulfate
  9. concentrationconcentrated under reduced pressure
  10. dissolutionThe resultant oily product was dissolved in 5 ml of methylene chloride
  11. additionTo the solution was added 5 ml of trifluoroacetic acid
  12. stirringthe mixture was stirred for one hour at room temperature
  13. concentrationThe reaction mixture was concentrated
  14. customto give a crude product, which
  15. customfollowed by purification by means of C18

Sources & evidence

ORD record
ord-3bb4f4bee71e478cb8a2f5d66b5e5541
Source dataset
uspto-grants-1994_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05294713

Reaction notes

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