BOC-4-フェニルピペリジン-4-カルボン酸

1-((Tert-butoxy)carbonyl)-4-phenylpiperidine-4-carboxylic acid

HCID 736917

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 167262-68-2
標準SMILES: CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIKey: ZDWOYDIXKYSZPX-UHFFFAOYSA-N
分子式: C17H23NO4
平均分子量: 305.4 g/mol
単同位体質量: 305.16270822

名称と識別子

優先名称: 1-((Tert-butoxy)carbonyl)-4-phenylpiperidine-4-carboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acid
現地名: BOC-4-フェニルピペリジン-4-カルボン酸
英語名: BOC-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID
分子式: C17H23NO4
分子量: 305.37

名称と別名

1-[(tert-butoxy)carbonyl]-4-phenylpiperidine-4-carboxylic acid1-((Tert-butoxy)carbonyl)-4-phenylpiperidine-4-carboxylic acidRefChem:419089818-930-8167262-68-21-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acidBOC-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID1-(tert-butoxycarbonyl)-4-phenyl-4-piperidinecarboxylic acidMFCD006737741-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acidN-Boc-4-phenyl-4-piperidinecarboxylic acid1,4-Piperidinedicarboxylicacid, 4-phenyl-, 1-(1,1-dimethylethyl) ester

名称をさらに表示

BOC-4-フェニルピペリジン-4-カルボン酸RARECHEM EM WB 01821-BOC-4-phenylpiperidine-4-carboxylic acid4-phenylpiperidine-1,4-dimate 1-tert-butyl esterBoc-4-phenylpiperidine-4-carboxylic acid≥ 99% (HPLC)4-PHENYL-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER1-[[(tert-Butyl)oxy]carbonyl]-4-phenyl-4-piperidinecarboxylic acid

1-tert-Butoxycarbonyl-4-phenyl-piperidine-4-carboxylic acid1-[(tert-butyl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acidPh-Pip(Boc)-OHOprea1_008795SCHEMBL972474DTXSID10353135ZDWOYDIXKYSZPX-UHFFFAOYSA-NSBB053338

データベース識別子

CAS: 167262-68-2
PubChem CID: 736917
DTXSID: DTXSID10353135
EC Number: 818-930-8
Nikkaji: J2.004.507H

物性

構造計算による物性

XLogP: 2.6
極性表面積: 66.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 22
形式電荷: 0
複雑度: 413

物理化学的性質

融点: 187 · 187-189°C
沸点: 450 · 450.0±45.0 °C(Predicted)
比重(密度): 1.176 · 1.176
貯蔵温度: 0 · Store at 0-5°C
酸解離定数(Pka): 4.09 · 4.09±0.20(Predicted)

化学的性質

化学的特性White powder

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, P317, 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.