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(1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester

(1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester Struktur
365997-33-7
CAS-Nr.
365997-33-7
Englisch Name:
(1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester
Synonyma:
Edoxaban Impurity N47;Ethyl rel-(1R,3S,4S)-3-azido-4-hydroxycyclohexanecarboxylate;Cyclohexanecarboxylic acid,3-[[(1,1-dimethylethoxy)carbonyl]...;(1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester;Ethyl (1S,3R,4R)-3-(tert-butoxycarbonylamino)-4-hydroxycyclohexane-1-carboxylate;TIANFU CHEM-- (1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester;(1S,3R,4R)-(+)-3-[(tert-Butoxycarbonyl)amino]-4-hydroxycyclohexanecarboxylic acid ethyl ester;Cyclohexanecarboxylic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, ethyl ester,(1S,3R,4R)-
CBNumber:
CB02703877
Summenformel:
C14H25NO5
Molgewicht:
287.35
MOL-Datei:
365997-33-7.mol

(1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester Eigenschaften

Schmelzpunkt:
93-95°C
Siedepunkt:
406.6±45.0 °C(Predicted)
Dichte
1.12±0.1 g/cm3(Predicted)
storage temp. 
Refrigerator
L?slichkeit
Chloroform (Sparingly), DMSO (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand
Solid
pka
11.73±0.60(Predicted)
Farbe
White to Off-White
Optische Rotation
29.6°(C=0.01g/mL, CHCL3, 20°C, 589nm)
InChI
InChI=1S/C14H25NO5/c1-5-19-12(17)9-6-7-11(16)10(8-9)15-13(18)20-14(2,3)4/h9-11,16H,5-8H2,1-4H3,(H,15,18)/t9-,10+,11+/m0/s1
InChIKey
YFFMJGAVWORNIZ-HBNTYKKESA-N
SMILES
[C@H]1(C(OCC)=O)CC[C@@H](O)[C@H](NC(OC(C)(C)C)=O)C1

Sicherheit

(1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester Chemische Eigenschaften,Einsatz,Produktion Methoden

Verwenden

(1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester, is a building block used in various chemicla synthesis. It can be used for the preparation of six stereoisomers of diaminocyclohexane carboxamide as key intermediates for synthesis of factor Xa inhibitors.

synthetische

Under 45°C, aqueous ammonia(175 mL) was added to the   (1S,3S,6R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate ethyl (17g, 0.1mmol). After TLC confirmed that the reaction was completed, the reaction liquid was vacuum concentrated. Then 175 mL ethanol was added to the reaction. At room temperature, di-tert-butyl dicarbonate (44.0g, 201mmol) dissolved in ethanol would be added to the above mixture. After reaction for 1h, the solid was concentrated in vacuo, and water (300 mL) was added to the mixture.The water layer was extracted with ethanol (300 mL) twice. The organic phase was collected and dried with anhydrous sodium sulfate. After vacuum concentration, the residue was purified by column chromatography on silica gel to obtain (1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester.
(1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester

(1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte


(1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.

Global( 89)Lieferanten
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  • Cyclohexanecarboxylic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, ethyl ester,(1S,3R,4R)-
  • Ethyl (1S,3R,4R)-3-(tert-butoxycarbonylamino)-4-hydroxycyclohexane-1-carboxylate
  • (1S,3R,4R)-(+)-3-[(tert-Butoxycarbonyl)amino]-4-hydroxycyclohexanecarboxylic acid ethyl ester
  • (1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester
  • Cyclohexanecarboxylic acid,3-[[(1,1-dimethylethoxy)carbonyl]...
  • TIANFU CHEM-- (1S,3R,4R)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester
  • Ethyl rel-(1R,3S,4S)-3-azido-4-hydroxycyclohexanecarboxylate
  • Edoxaban Impurity N47
  • 365997-33-7
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