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4-Amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid → 3-[({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)amino]piperidine-3-carboxylic acid

HRID 1867728
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1867728
[NH2:1][C:2]1([C:15]([OH:17])=[O:16])[CH2:7][CH2:6][CH2:5][N:4](C(OC(C)(C)C)=O)[CH2:3]1.NC1(C(O)=O)CCN(C(OC(C)(C)C)=O)CC1.[Cl:35][C:36]1[C:37]([F:57])=[C:38]([NH:42][C:43]2[C:52]3[C:47](=[CH:48][C:49]([O:55][CH3:56])=[C:50]([CH:53]=O)[CH:51]=3)[N:46]=[CH:45][N:44]=2)[CH:39]=[CH:40][CH:41]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCl.C(O)(=O)C>[Cl:35][C:36]1[C:37]([F:57])=[C:38]([NH:42][C:43]2[C:52]3[C:47](=[CH:48][C:49]([O:55][CH3:56])=[C:50]([CH2:53][NH:1][C:2]4([C:15]([OH:17])=[O:16])[CH2:7][CH2:6][CH2:5][NH:4][CH2:3]4)[CH:51]=3)[N:46]=[CH:45][N:44]=2)[CH:39]=[CH:40][CH:41]=1
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Komponenten

7

Edukt 4

HCID 6937974-Amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acidHCID 5049666Sodium triacetoxyborohydrideHCID 115734924-[(3-Chloro-2-fluorophenyl)amino]-7-methoxyquinazoline-6-carbaldehydeHCID 247296423-Amino-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid

Produkt 1

HCID 69048227
3-[({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)amino]piperidine-3-carboxylic acid

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 176Acetic AcidLösungsmittelHCID 6344DichloromethaneLösungsmittel

Versuchsvorschrift

3-Amino-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid (Pharmacore, or may be prepared using analogous methodology described for the preparation of 4-Amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid in J. Org. Chem. 1996, 61, 7650-7651, 0.221 g, 0.906 mmol) and molecular sieves 4 Å (ca. 200 mg) were added to a rapidly stirred suspension of 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazoline-6-carbaldehyde (0.20 g, 0.604 mmol) in a mixture of 5% v/v acetic acid in dichloromethane (2 ml). Sodium triacetoxyborohydride (0.192 g, 0.906 mmol) was added over a period of 3 hours. The reaction mixture was concentrated, dissolved in dichloromethane (1 ml) and treated with trifluoroacetic acid (1 ml). The reaction mixture was stirred for 1 hour at room temperature, concentrated and purified by preparative LCMS (acidic hydrophilic system) to afford the intermediate 3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)amino]piperidine-3-carboxylic acid as a white foam; Mass Spectrum: (M+H)+ 560. The foam was dissolved in aqueous formaldehyde (1 ml) and acetic acid (0.1 ml) was added followed by sodium cyanoborohydride (100 mg) at 0° C. The reaction mixture was purified directly by preparative LCMS (acidic system) to give 3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-methylpiperidine-3-carboxylic acid (0.03 g, 10.2%) as a white foam; Mass Spectrum: (M+H)+ 488.

Aufarbeitung

  1. concentrationThe reaction mixture was concentrated
  2. dissolutiondissolved in dichloromethane (1 ml)
  3. additiontreated with trifluoroacetic acid (1 ml)
  4. concentrationconcentrated
  5. custompurified by preparative LCMS (acidic hydrophilic system)

Quellen und Nachweise

ORD-Eintrag
ord-d19e0422f9e8461daaa0be2711045de6
Quelldatensatz
uspto-grants-2009_12
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07632840B2

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