| Identification | Back Directory | [Name]
4,7-DIAZA-SPIRO[2.5]OCTANE-7-CARBOXYLIC ACID TERT-BUTYL ESTER | [CAS]
886766-28-5 | [Synonyms]
7-Boc-4,7-diaza-spiro[2.5]octane
4,7-DIAZA-SPIRO[2.5]OCTANE-7-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-Butyl 4,7-diazaspiro[2.5]octane-7-carboxylate hydrochloride
4,7-Diaza-spiro[2.5]octane-7-carboxylic acid tert-butyl ester hcl
4,7-Diazaspiro[2.5]octane-7-carboxylic acid, 1,1-dimethylethyl ester | [Molecular Formula]
C11H20N2O2 | [MDL Number]
MFCD08685931 | [MOL File]
886766-28-5.mol | [Molecular Weight]
212.29 |
| Questions And Answer | Back Directory | [Synthesis]
Starting from diethyl malonate (1), 1,1-cyclopropanedicarboxylate (2) was prepared by cyclization reaction; 2 was hydrolyzed to obtain 1,1-cyclopropanedicarboxylate monoethyl ester (3); 3 was rearranged by Hoffmann reaction to obtain ethyl 1-tert-butoxycarbonylamino-1-cyclopropanecarboxylate (4); 4 was hydrolyzed to obtain 1-tert-butoxycarbonylamino-1-cyclopropanecarboxylic acid (5); 5 was acylated by ethyl α-aminoacetate to obtain Ethyl 1-tert-butoxycarbonylamino-1-cyclopropanecarbonylaminoacetate (6); 6 was cyclized again with ethylene glycol to give 5,8-diketone-4,7-diazaspiro[2.5]octane (7); 7 was reduced to give 4,7-diazaspiro[2.5]octane (8); 8 was added to di-tert-butyl dicarbonate to synthesize 4,7-diazaspiro[2.5]octane-7-carboxylic acid tert-butyl ester, with an overall yield of 9.16%. |
| Chemical Properties | Back Directory | [Boiling point ]
301.3±17.0 °C(Predicted) | [density ]
1.10±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [pka]
9.54±0.20(Predicted) | [InChI]
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-6-12-11(8-13)4-5-11/h12H,4-8H2,1-3H3 | [InChIKey]
XXKCYKIJWLFVDG-UHFFFAOYSA-N | [SMILES]
C1C2(CN(C(OC(C)(C)C)=O)CCN2)C1 |
| Hazard Information | Back Directory | [Uses]
tert-butyl 4,7-diazaspiro[2.5]octane-7-carboxylate (cas# 886766-28-5) is used in the preparation of triazolopyridines for the treatment or prevention of neurological and psychiatric disorders. It is also used in the preparation of imidazo[1,2-a]pyrazin-8-amines as Brk/PTK6 inhibitors and in the preparation of pyrrolopyrimidinyl-, pyrrolopyrazinyl- and pyrrolopyridinylacrylamides as JAK inhibitors. |
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