1-(tert-ブトキシカルボニル)-3-ヒドロキシピペリジン

1-Boc-3-hydroxypiperidine

HCID 545699

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 85275-45-2
標準SMILES: CC(C)(C)OC(=O)N1CCCC(O)C1
InChIKey: UIJXHKXIOCDSEB-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: 1-Boc-3-hydroxypiperidine
IUPAC: tert-butyl 3-hydroxypiperidine-1-carboxylate
現地名: 1-(tert-ブトキシカルボニル)-3-ヒドロキシピペリジン
英語名: 1-Boc-3-hydroxypiperidine
分子式: C10H19NO3
分子量: 201.26

名称と別名

1-Boc-3-hydroxypiperidine85275-45-2DTXSID40337963RefChem:430083DTXCID00289050628-428-9tert-butyl 3-hydroxypiperidine-1-carboxylate1-Boc-3-piperidinol1-n-boc-3-hydroxy-piperidineMFCD020939381-tert-Butoxycarbonyl-3-hydroxy piperidinen-boc-3-hydroxypiperidine

名称をさらに表示

1-(tert-ブトキシカルボニル)-3-ヒドロキシピペリジン1-Boc-3-ヒドロキシピペリジン1-Boc-3-ピペリジノール1-TERT-ブトキシカルボニル-3-ヒドロキシピペリジンN-BOC-3-ヒドロキシピペリジン1-Boc-3-ヒドロキシピペリジン, 97%N-BOC-3-PIPERIDINOLRARECHEM EM WB 0260Ibrutinib Impurity 57Ibrutinib Impurity 126BOC-3-HYDROXYPIPERIDINEN-BOC-3-HYDOXYPIPERIDINEN-Boc-3-hydroxypiperidin

N-(tert-Butoxycarbonyl)-3-piperidinol(r)-n-boc-3-hydroxypiperidineboc-(r,s)-3-hydroxypiperidine1-(tert-Butoxycarbonyl)-3-hydroxypiperidine1-Piperidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl esterN-Boc-3-Hydroxy piperidine3-hydroxypiperidine-1-carboxylic acid tert-butyl ester3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester

データベース識別子

CAS: 85275-45-2
PubChem CID: 545699
DTXSID: DTXSID40337963
UNII: VZK3X8HTC8
EC Number: 628-428-9
Nikkaji: J527.164I

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: 210

物理化学的性質

融点: 65 · 65-67°C
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: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 14.74 · 14.74±0.20(Predicted)
色: White to Almost white
BRN: 4180859 · 4180859
InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,1-3H3
InChIKey: UIJXHKXIOCDSEB-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCCC(O)C1
CAS データベース: 85275 · 85275-45-2(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-20/21/22
hazard_code: Xi
safety_code: 26-36-36/37/39
hazard_class: IRRITANT

化学と産業

応用分野

使用It is a pharmaceutical intermediate.

上流・下流製品情報

上流原料

下流製品

(3R)-1-Boc-3-(4-aMino-3-iodo-1H-pyrazolo[3,4-d]pyriMidin-1-yl)piperidine 3-(4-クロロフェノキシ)ピペリジン 1-(tert-ブトキシカルボニル)-3-ピペリドン tert-butyl 3-formylpropylmethylcarbamate

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南京一化生物科技有限公司13429882898; 13429882898

INTATRADE GmbH+49 3493/605464 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

化合物ノート

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