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化合物简介
4-(N-Boc-amino)cyclohexanone is an intermediate in the synthesis of tert-Butyl 1,7-diazaspiro[3.5]nonane-1-carboxylate. tert-Butyl 1,7-diazaspiro[3.5]nonane-1-carboxylate is a reagent in the preparation of -[4-fluoro-3-(piperazin-1-ylcarbonyl)benzyl]-4,5-dimethylpyridazin-3(2H)-ones as a potent poly(ADP-ribose) polymerase-1 inhibitors active in BRCA deficient cells.
基本信息
CAS:179321-49-4
中文别名:4-叔丁氧羰基氨基;N-4-Boc-氨基环己酮;4-N-BOC-氨基环己酮;4-(BOC-氨基)环己酮;4-N-Boc氨基环己酮;4-(Boc-氨基)环己酮;
英文别名:tert-butyl 4-oxocyclohexylcarbamate;N-Boc-4-amino-cyclohexan-1-one;N-Boc-4-Aminocyclohexanone;4-N-Boc-Aminocyclohexanone;4-(tert-Butoxycarbonylamino)cyclohexanone;4-N-Boc-aminocyclohexanone;4-(Boc-amino)cyclohexanone;boc-4-aminocyclohexanone;4-Boc-aminocyclohexanone;N-4-Boc-aminocyclohexanone;N-tert-butyloxycarbonyl-4-aminocyclohexanone;tert-Butyl (4-oxocyclohexyl)carbamate;
分子式:C11H19NO3
分子量:213.273
精确质量:213.136
Psa:55.4
Logp:2.4137
中文别名:4-叔丁氧羰基氨基;N-4-Boc-氨基环己酮;4-N-BOC-氨基环己酮;4-(BOC-氨基)环己酮;4-N-Boc氨基环己酮;4-(Boc-氨基)环己酮;
英文别名:tert-butyl 4-oxocyclohexylcarbamate;N-Boc-4-amino-cyclohexan-1-one;N-Boc-4-Aminocyclohexanone;4-N-Boc-Aminocyclohexanone;4-(tert-Butoxycarbonylamino)cyclohexanone;4-N-Boc-aminocyclohexanone;4-(Boc-amino)cyclohexanone;boc-4-aminocyclohexanone;4-Boc-aminocyclohexanone;N-4-Boc-aminocyclohexanone;N-tert-butyloxycarbonyl-4-aminocyclohexanone;tert-Butyl (4-oxocyclohexyl)carbamate;
分子式:C11H19NO3
分子量:213.273
精确质量:213.136
Psa:55.4
Logp:2.4137
编号系统
MDL号:MFCD00798168
物化性质
密度:1.06 g/cm3
沸点:335.9ºC at 760 mmHg
闪点:157ºC
折射率:1.474
蒸汽压:0.000116mmHg at 25°C
沸点:335.9ºC at 760 mmHg
闪点:157ºC
折射率:1.474
蒸汽压:0.000116mmHg at 25°C
安全信息
安全说明:S26; S36/37/39
危险类别码:R36/37/38
海关编码:2924299090
危险品标志:Xi
危险类别码:R36/37/38
海关编码:2924299090
危险品标志:Xi
生产方法及用途
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图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict
