1-(tert-ブトキシカルボニル)-4-ヒドロキシピペリジン

Tert-butyl 4-hydroxypiperidine-1-carboxylate

HCID 643502CAS 109384-19-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)OC(=O)N1CCC(O)CC1
InChIKey: PWQLFIKTGRINFF-UHFFFAOYSA-N
分子式: C10H19NO3
平均分子量: 201.26 g/mol
単同位体質量: 201.13649347

名称と識別子

優先名称: Tert-butyl 4-hydroxypiperidine-1-carboxylate
IUPAC: tert-butyl 4-hydroxypiperidine-1-carboxylate
現地名: 1-(tert-ブトキシカルボニル)-4-ヒドロキシピペリジン
英語名: N-BOC-4-Hydroxypiperidine
分子式: C10H19NO3
分子量: 201.26

名称と別名

tert-butyl 4-hydroxypiperidine-1-carboxylate4-Hydroxypiperidine-1-carboxylic acid tert-butyl esterRefChem:894075600-916-6109384-19-2n-boc-4-hydroxypiperidine1-Boc-4-hydroxypiperidine1-Boc-4-piperidinolN-Boc-4-piperidinolMFCD010751741-(tert-Butoxycarbonyl)-4-hydroxypiperidine1-piperidinecarboxylic acid, 4-hydroxy-, 1,1-dimethylethyl ester

名称をさらに表示

1-(tert-ブトキシカルボニル)-4-ヒドロキシピペリジン4-ヒドロキシ-1-ピペリジンカルボ酸 tert-ブチルエステル1-Boc-4-ヒドロキシピペリジン1-Boc-4-ピペリジノール1‐BOC‐4‐ヒドロキシピペリジンTERT-ブトキシカルボニル-4-ヒドロキシ-1-ピペリジンN-BOC-4-ヒドロキシピペリジン1-Boc-4-ヒドロキシピペリジン, 98%N-(TERT-BUTOXYCARBONYL)-4-PIPERIDINOLBoc-4-piperidinol1-Bocpiperidin-4-olRARECHEM AH CK 0055

Boc-(4-hydroxy)piperidine1-Boc-4-Hydroxy-piperidine1-tert-Butoxycarbonyl-4-hydroxypiperidine1-Boc-piperidin-4-ol1-boc-4-hydroxy piperidine4-hydroxy-piperidine-1-carboxylic acid tert-butyl estertert-Butyl 4-hydroxy-1-piperidinecarboxylate4-HYDROXY-1-(TERT-BUTOXYCARBONYL)PIPERIDINE

データベース識別子

CAS: 109384-19-2
PubChem CID: 643502
DTXSID: DTXSID40349203
UNII: VFT42CH8U4
EC Number: 600-916-6
Nikkaji: J1.097.794K

物性

構造計算による物性

XLogP: 1
極性表面積: 49.8 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: 14
形式電荷: 0
複雑度: 202

実験および物理化学的性質

DrugsDEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related

物理化学的性質

融点: 61 · 61-65 °C (lit.)
沸点: 292.3 · 292.3±33.0 °C(Predicted)
比重(密度): 1.107 · 1.107±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム、酢酸エチル
酸解離定数(Pka): 14.8 · 14.80±0.20(Predicted)
外見: 粉
色: ホワイト～クリーム
BRN: 7202094 · 7202094
InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3
InChIKey: PWQLFIKTGRINFF-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(O)CC1
CAS データベース: 109384 · 109384-19-2(CAS DataBase Reference)

化学的性質

化学的特性White to cream powder

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)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

使用N-Boc-4-hydroxypiperidine is a 4-hydroxypyridine with a boc protecting group used in the preparation of neurologically active agents and other pharmaceutical compounds.

調製方法 · 1 件

製造方法A mixture of 4-hydroxypiperidine (10.0 g, 98. 9 mmol), aqueous sodiumhydrogen carbonate (150 mL, 1 M), DI-FERT-BUTYL dicarbonate (21. 6 g, 98.9 mmol) and dichloromethane was stirred for 15 h. The phases were separated and the product (N-BOC-4-Hydroxypiperidine) was isolated as an oil in quantitative yield (19.9 g).