ChemicalBook--->CAS DataBase List--->1032684-85-7

1032684-85-7

1032684-85-7 Structure

1032684-85-7 Structure
IdentificationBack Directory
[Name]

3-AMino-azepane-1-carboxylic acid tert-butyl ester
[CAS]

1032684-85-7
[Synonyms]

3615-A4
EOS-60818
Nazartinib intermediate
(R)-1-Boc-3-aMinoazepane
(R)-3-Amino-1-Boc-azepane
(S)-Methyl 3-(1-aMinoethyl)benzoate
tert-butyl(R)-3-aminoazepane-1-carboxylate
(R)-tert-butyl 3-aMinoazepane-1-carboxylate
tert-Butyl (3R)-3-AMinoazepane- 1-carboxylate
(3R)-Amino-azepane-1-carboxylic acid tert-butyl ester
(R)-3-AMino-azepane-1-carboxylic acid tert-butyl ester
(3R)-3-AMinoazepane-1-carboxylic Acid tert-Butyl Ester
1,1-Dimethylethyl (3R)-3-aminohexahydro-1H-azepine-1-carboxylate
(3R)-3-AMinohexahydro-1H-azepine-1-carboxylic acid tert-butyl ester
(3R)-3-AMinohexahydro-1H-azepine-1-carboxylic Acid 1,1-DiMethylethyl Ester
1H-Azepine-1-carboxylic acid, 3-aMinohexahydro-, 1,1-diMethylethyl ester, (3R)-
[Molecular Formula]

C11H22N2O2
[MDL Number]

MFCD11041391
[MOL File]

1032684-85-7.mol
[Molecular Weight]

214.305
Questions And AnswerBack Directory
[Synthesis]

In a three-necked flask equipped with a stirrer, 200 mL of a buffer solution consisting of sodium carbonate and sodium bicarbonate was added. The mixture was placed in an ice bath, and tert-butyl dicarbonate was added dropwise using a dropping funnel. The reaction mixture was stirred in a water bath at 30°C for 22 hours. Unreacted tert-butyl dicarbonate was removed by extraction with diethyl ether (100 mL × 2). The resulting aqueous phase was adjusted to pH 2-3 with 3 mol/L hydrochloric acid solution, then extracted with ethyl acetate (100 mL × 4), dried over anhydrous sodium sulfate, filtered, and the solvent was removed by rotary evaporation to obtain a colorless, oily liquid 3-AMino-azepane-1-carboxylic acid tert-butyl ester.

Synthesis of 1032684-85-7

Chemical PropertiesBack Directory
[Boiling point ]

296.5±33.0 °C(Predicted)
[density ]

1.020
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[pka]

10.35±0.20(Predicted)
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(12)8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
[InChIKey]

WXWILWLHHQGUCX-SECBINFHSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCCC[C@@H](N)C1
[CAS DataBase Reference]

1032684-85-7
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P305+P351+P338-P310
[RIDADR ]

UN2735
[HazardClass ]

8
Hazard InformationBack Directory
[Uses]

(3R)-3-Aminoazepane-1-carboxylic Acid tert-Butyl Ester is used in the preparation of ureidothiophenes, as CHK1 kinase inhibitors for treating neoplasm.
Spectrum DetailBack Directory
[Spectrum Detail]

3-AMino-azepane-1-carboxylic acid tert-butyl ester(1032684-85-7)1HNMR
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