1-BOC-3-メタンスルホニルオキシピペリジン

N-Boc-3-mesyloxypiperidine

HCID 568122

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 129888-60-4
標準SMILES: CC(C)(C)OC(=O)N1CCCC(OS(C)(=O)=O)C1
InChIKey: WLAZHMYDLUILKR-UHFFFAOYSA-N
分子式: C11H21NO5S
平均分子量: 279.36 g/mol

名称と識別子

優先名称: N-Boc-3-mesyloxypiperidine
IUPAC: tert-butyl 3-methylsulfonyloxypiperidine-1-carboxylate
現地名: 1-BOC-3-メタンスルホニルオキシピペリジン
英語名: N-Boc-3-mesyloxypiperidine
分子式: C11H21NO5S
分子量: 279.35

名称と別名

129888-60-4N-Boc-3-mesyloxypiperidinetert-Butyl 3-((methylsulfonyl)oxy)piperidine-1-carboxylatetert-butyl 3-methylsulfonyloxypiperidine-1-carboxylate1-BOC-3-METHANESULFONYLOXY-PIPERIDINEMFCD077871931-Boc-3-[(methylsulfonyl)oxy]piperidine1-Piperidinecarboxylic acid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester1-Boc-3-MethanesulphonyloxypiperidineN-BOC-3-(Methylsulfonyloxy)piperidinetert-butyl 3-[(methylsulfonyl)oxy]piperidine-1-carboxylate3-(Methylsulfonyloxy)piperidine-1-carboxylic acid tert-butyl ester

名称をさらに表示

1-BOC-3-メタンスルホニルオキシピペリジンN-BOC-3-メシルオキシピペリジン1-Boc-3-methanesulfonyloxy-piper3-((methylsulfonyl)oxy)piperidine-1-carboxylatetert-Butyl 3-Methylsulfonyloxypiperidin-1-carboxylatetert-Butyl 3-[(methylsulfonyloxy)]-1-piperidinecarboxylate

tert-butyl 3-(methylsulfonyloxy)piperidine-1-carboxylateTert-butyl3-(methylsulfonyloxy)piperidine-1-carboxylatetert-butyl 3-(methanesulfonyloxy)piperidine-1-carboxylate1-(tert-Butoxycarbonyl)-3-(methanesulfonyloxy)piperidineSCHEMBL215720tert-Butyl 3-((methylsulfonyl)1-(TERT-BUTOXYCARBONYL)PIPERIDIN-3-YL METHANESULFONATE3-methylsulfonyloxy-1-piperidinecarboxylic acid tert-butyl ester

データベース識別子

CAS: 129888-60-4
PubChem CID: 568122
EC Number: 178-213-4
Nikkaji: J527.165G

物性

構造計算による物性

XLogP: 1.1
極性表面積: 81.3 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 393

物理化学的性質

融点: 67 · 67-70°
沸点: 407.2 · 407.2±34.0 °C(Predicted)
比重(密度): 1.22 · 1.22±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -3.34 · -3.34±0.40(Predicted)
InChI: InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-6-9(8-12)17-18(4,14)15/h9H,5-8H2,1-4H3
InChIKey: WLAZHMYDLUILKR-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCCC(OS(C)(=O)=O)C1

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.