tert-Butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate

HCID 53393265

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 143306-65-4
標準SMILES: CC(C)(C)OC(=O)N1CCC(O)C(C)(C)C1
InChIKey: QZMUVNRDYLNZDA-UHFFFAOYSA-N
分子式: C12H23NO3
平均分子量: 229.32 g/mol
単同位体質量: 229.1677936

名称と識別子

優先名称: tert-Butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
IUPAC: tert-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
英語名: 1-Piperidinecarboxylic acid, 4-hydroxy-3,3-dimethyl-, 1,1-dimethylethyl ester
分子式: C12H23NO3
分子量: 229.32

名称と別名

143306-65-4TERT-BUTYL 4-HYDROXY-3,3-DIMETHYLPIPERIDINE-1-CARBOXYLATEDTXSID30693848RefChem:894061DTXCID30644597852-518-91-Boc-4-hydroxy-3,3-dimethylpiperidineMFCD119773434-Hydroxy-3,3-diMethyl-1-piperidinecarboxylic Acid 1,1-DiMethylethyl Ester1-Boc-3,3-dimethylpiperidin-4-ol1-Piperidinecarboxylic acid, 4-hydroxy-3,3-dimethyl-, 1,1-dimethylethyl esterSCHEMBL2777507

名称をさらに表示

1-Piperidinecarboxylicacid, 4-hydroxy-3,3-dimethyl-, 1,1-dim...4-hydroxy-3,3-diMethyl-1-piperidinecarboxylic acid tert-butyl ester

QZMUVNRDYLNZDA-UHFFFAOYSA-NTFA30665AKOS015897865SB11750AS-34002SY042404CS-0048212EN300-206514

データベース識別子

CAS: 143306-65-4
PubChem CID: 53393265
DTXSID: DTXSID30693848
EC Number: 852-518-9

物性

構造計算による物性

XLogP: 1.8
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: 16
形式電荷: 0
複雑度: 268

物理化学的性質

沸点: 306.3 · 306.3±35.0 °C(Predicted)
比重(密度): 1.041 · 1.041±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: solid
酸解離定数(Pka): 14.85 · 14.85±0.40(Predicted)
InChI: 1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13/h9,14H,6-8H2,1-5H3
InChIKey: QZMUVNRDYLNZDA-UHFFFAOYSA-N
SMILES: O=C(OC(C)(C)C)N1CC(C)(C)C(O)CC1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 2 reports by companies from 2 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 CategoriesAcute Tox. 3 (100%)

安全データ

ridadr: UN2811
Hazard Classifications: Acute Tox. 3 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用4-Hydroxy-3,3-dimethyl-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester is a useful synthetic intermediate. It can be used to prepare hydroxyquinoxalinecarboxamides for treatment of blood coagulation disorders.

サプライヤー37 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Compound Net Biotechnology Inc.15266686121 · [email protected]

化合物ノート

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