Tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate

HCID 10377658

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 169206-65-9
標準SMILES: COC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: OHLLSFRHFHSUES-UHFFFAOYSA-N
分子式: C13H21NO4
平均分子量: 255.31 g/mol
単同位体質量: 255.14705815

名称と識別子

優先名称: Tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate
英語名: tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate
分子式: C13H21NO4
分子量: 255.31

名称と別名

169206-65-9tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylateDTXSID30438978RefChem:383476DTXCID80389800963-230-9MFCD01632524Boc 4-Methoxycarbonylmethylene-piperidine1-Piperidinecarboxylic acid, 4-(2-methoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester4-Methoxycarbonylmethylene-piperidine-1-carboxylic acid tert-butyl ester1-tert-butoxycarbonyl-4-[(methoxycarbonyl)methylene]piperidineMethyl 2-(1-Boc-4-piperidylidene)acetate

名称をさらに表示

tert-Butyl4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylattert-butyl 4-(2-methoxy-2-oxoethylidene)-1-piperidinecarboxylatetert-butyl4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate(WX191795)4-(2-methoxy-2-oxoethylidene)-1-piperidinecarboxylic acid tert-butyl ester

tert-butyl 4-(2-methoxy-2-oxoethylidene) piperidine-1-carboxylateTert-butyl 4-(2-methoxy-2-oxo-ethylidene)piperidine-1-carboxylateSCHEMBL1063544V2VP62L2Gtert-butyl4-(2-methoxy-2-oxoethylidene)pipcarboxylateOHLLSFRHFHSUES-UHFFFAOYSA-NAB8754AKOS016001693

データベース識別子

CAS: 169206-65-9
PubChem CID: 10377658
DTXSID: DTXSID30438978
UNII: 4V2VP62L2G
EC Number: 963-230-9

物性

構造計算による物性

XLogP: 1.4
極性表面積: 55.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 344

物理化学的性質

沸点: 339 · 339.0±35.0 °C(Predicted)
比重(密度): 1.15 · 1.150±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -1.47 · -1.47±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野

使用Tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate is an organic compound, which is often used as a pharmaceutical intermediate or chemical synthesis raw material.