CAS 896464-16-7 tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate (HCID 24820512)

基本情報

CAS: 896464-16-7
標準SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CNC2
InChIKey: NRADOPGBTAJXKB-UHFFFAOYSA-N
分子式: C12H22N2O2
平均分子量: 226.32 g/mol
単同位体質量: 226.16812794

名称と識別子

優先名称: tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
IUPAC: tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
英語名: tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
分子式: C12H22N2O2
分子量: 226.32

名称と別名

tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-7DTXSID90647549TERT-BUTYL 2,7-DIAZASPIRO(3.5)NONANE-7-CARBOXYLATERefChem:383138DTXCID90598300813-018-6MFCD098396407-Boc-2,7-diaza-spiro[3.5]nonane2,7-Diaza-spiro[3.5]nonane-7-carboxylic acid tert-butyl ester2,7-Diazaspiro[3.5]nonane-7-carboxylic acid 1,1-dimethyl ethyl ester7-BOC-2,7-DIAZASPIRO[3.5]NONANE

名称をさらに表示

7-Boc-2,7-diaza-spiro3.5nonetert-Butyl 2,7-diazaspiro[3.5]none-7-carboxylateert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylatetert-butyl 2,7-diazaspiro(3,5)nonane-7-carboxylate hcltert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate 98%tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate?New2,7-Diazaspiro[3,5]nonane-7-carboxylate tert-butyl estertert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylatecarboxylate

2,7-Diazaspiro[3.5]nonane-7-carboxylicacid tert-butyl estertert-butyl 2,7-diazaspiro[3,5]nonane-7-carboxylatetert-butyl 2,7-Diazaspiro(3,5)nonane-7-carboxylateV7F4TK4VQNtert-butyl2,7-diazaspiro[3.5]nonane-7-carboxylateSCHEMBL994268orb3176672NRADOPGBTAJXKB-UHFFFAOYSA-N

データベース識別子

CAS: 896464-16-7
PubChem CID: 24820512
DTXSID: DTXSID90647549
UNII: V7F4TK4VQN
EC Number: 813-018-6

物性

構造計算による物性

XLogP: 1.1
極性表面積: 41.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 269

物理化学的性質

沸点: 319 °C · 319 °C
比重(密度): 1.08 · 1.08
闪点: 147 °C · 147 °C
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 10.68 · 10.68±0.20(Predicted)
外見: oil
色: Light yellow
InChI: InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12/h13H,4-9H2,1-3H3
InChIKey: NRADOPGBTAJXKB-UHFFFAOYSA-N
SMILES: C1C2(CCN(C(OC(C)(C)C)=O)CC2)CN1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

安全データ

ridadr: UN2811
hs_code: 2933998090

化学と産業

応用分野

使用2,7-Diazaspiro[3.5]nonane-7-carboxylic Acid tert-Butyl Ester is a reagent in the synthesis of RET kinase inhibitors. In addition it is used in the preparation of CDK4/6 inhibitors.