4-叔丁基哌啶盐酸盐 - CAS号 69682-13-9

物化性质

熔点：

302 °C

计算性质

辛醇/水分配系数(LogP)：

1.98
重原子数：

11
可旋转键数：

1
环数：

1.0
sp3杂化的碳原子比例：

1.0
拓扑面积：

12
氢给体数：

2
氢受体数：

1

安全信息

危险等级：

IRRITANT
危险品标志：

Xi
海关编码：

2933399090
危险性防范说明：

P261,P305+P351+P338
危险性描述：

H315,H319,H335

SDS

SDS：30cd887b2b070e58340917e54faf724a

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Name:	4-(tert-Butyl)piperidine hydrochloride Material Safety Data Sheet
Synonym:	None Known
CAS:	69682-13-9

Section 1 - Chemical Product MSDS Name:4-(tert-Butyl)piperidine hydrochloride Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
69682-13-9	4-(tert-Butyl)piperidine hydrochloride	90+	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 69682-13-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 250 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H19NClH
Molecular Weight: 177.72

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Bases, oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, chlorine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 69682-13-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(tert-Butyl)piperidine hydrochloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 69682-13-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 69682-13-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 69682-13-9 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

作为反应物：

描述：

4-叔丁基哌啶盐酸盐在 sodium hydroxide 作用下，以乙醚、水为溶剂，以97%的产率得到4-叔丁基哌啶

参考文献：

名称：

使用实验和计算的NMR化学位移确定六元饱和杂环（N，P，S，Se）及其氧化产物中的构型

摘要：

六元饱和杂环-4-叔丁基-1-甲基哌啶，4-叔丁基-1-甲基膦，4-叔丁基-四氢-2 H-噻喃和4-叔丁基-四氢-2将H-硒代吡喃制备为具有明确几何结构的合适模型化合物，用于其氧化产物的NMR研究。通过标准化学制备以及通过直接在NMR管中用间-氯过苯甲酸原位氧化获得相应的差向异构N-氧化物，次膦氧化物，亚砜和亚硒酸盐。实验1 H和13将C化学位移与通过GIAO方法使用DFT，MP2和HF方法以及各种基础集获得的相应计算数据进行比较。实验数据与计算数据的相关性表明，可以使用快速DFT B3LYP / 6-31G *方法确定差向异构氧化产物的立体化学，以进行几何优化和NMR化学位移计算。

DOI：

10.1016/j.tet.2014.04.047
作为产物：

描述：

4-叔丁基吡啶在 palladium 10% on activated carbon 、氢气、盐酸作用下，以溶剂黄146 、水为溶剂， 80.0 ℃ 、12.0 MPa 条件下，反应 12.0h，以91.7%的产率得到4-叔丁基哌啶盐酸盐

参考文献：

名称：

使用实验和计算的NMR化学位移确定六元饱和杂环（N，P，S，Se）及其氧化产物中的构型

摘要：

六元饱和杂环-4-叔丁基-1-甲基哌啶，4-叔丁基-1-甲基膦，4-叔丁基-四氢-2 H-噻喃和4-叔丁基-四氢-2将H-硒代吡喃制备为具有明确几何结构的合适模型化合物，用于其氧化产物的NMR研究。通过标准化学制备以及通过直接在NMR管中用间-氯过苯甲酸原位氧化获得相应的差向异构N-氧化物，次膦氧化物，亚砜和亚硒酸盐。实验1 H和13将C化学位移与通过GIAO方法使用DFT，MP2和HF方法以及各种基础集获得的相应计算数据进行比较。实验数据与计算数据的相关性表明，可以使用快速DFT B3LYP / 6-31G *方法确定差向异构氧化产物的立体化学，以进行几何优化和NMR化学位移计算。

DOI：

10.1016/j.tet.2014.04.047

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文献信息

POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR

申请人：Vanderbilt University

公开号：US20170349571A1

公开（公告）日：2017-12-07

Disclosed herein are positive allosteric modulators of melanocortin receptor and methods of using such modulators.

披露的是黑皮质素受体的正向别构调节剂以及使用这些调节剂的方法。
芳杂乙酰胺类衍生物及其制备和应用

申请人：杭州维坦医药科技有限公司

公开号：CN110357833B

公开（公告）日：2022-05-24

本发明提供一种芳杂乙酰胺类衍生物及其制备和应用，所述衍生物包括其药学上可接受的盐和/或溶剂合物。本发明经实验证实，所述的芳杂乙酰胺类衍生物能够特异性结合并抑制或降低瞬时受体电位锚蛋白1(TRPA1)的活性，可应用于治疗由TRPA1介导的疾病。本发明提供的抑制剂还包括该化合物的药物组合物,以及用于制备此类化合物的方法。所述衍生物通式为：
Indole compound

申请人：Yasuma Tsuneo

公开号：US20080096877A1

公开（公告）日：2008-04-24

The purpose of the present invention is to provide a glucokinase activator useful as a pharmaceutical agent such as an agent for the prophylaxis or treatment of diabetes, obesity and the like. The present invention provides a glucokinase activator containing a compound represented by the formula (I): wherein R 1 is a hydrogen atom or a halogen atom; R 2 is a group represented by wherein each symbol is defined in the specification, or a salt thereof or a prodrug thereof.

本发明的目的是提供一种作为药物剂如用于预防或治疗糖尿病、肥胖等的葡萄糖激酶激活剂有用的葡萄糖激酶激活剂。本发明提供了一种包含由公式（I）表示的化合物的葡萄糖激酶激活剂：其中 R1 是氢原子或卤素原子； R2 是由表示的组其中每个符号在说明书中定义，或其盐或前药。
[EN] MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES MACROCYCLIQUES À LARGE SPECTRE

申请人：GENENTECH INC

公开号：WO2020243155A1

公开（公告）日：2020-12-03

Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of bacterial type 1 signal peptidases SpsB and/or LepB, an essential protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

本文提供了抗菌化合物，其中在某些实施例中，这些化合物具有广谱生物活性。在各种实施例中，这些化合物通过抑制细菌类型1信号肽酶SpsB和/或LepB来发挥作用，这是细菌中的一种必需蛋白质。还提供了使用所述化合物的药物组合物和治疗方法。
[EN] PYRIDAZINONE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE PYRIDAZINONE ET LEURS UTILISATIONS

申请人：ALIOS BIOPHARMA INC

公开号：WO2015038660A1

公开（公告）日：2015-03-19

Disclosed herein are pyridazinone compounds, pharmaceutical compositions that include one or more pyridazinone compounds, and methods of synthesizing the same. Also disclosed herein are methods of ameliorating and/or treating a disease and/or a condition, including an orthomyxovirus infection, with a pyridazinone compounds. Examples of an orthomyxovirus viral infection includes an influenza infection.

本文披露了吡啶并酮化合物、包含一种或多种吡啶并酮化合物的药物组合物，以及合成这些化合物的方法。本文还披露了使用吡啶并酮化合物改善和/或治疗疾病和/或病况的方法，包括治疗流感病毒感染等正黏病毒感染的方法。

4-叔丁基哌啶盐酸盐 | 69682-13-9

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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