(1,4’-二哌啶)-4’-甲酰胺 | 39633-82-4

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (1,4’-二哌啶)-4’-甲酰胺
• 中文别名: 4-[4-(1-哌啶基)]哌啶甲酰胺；(1,4'-二哌啶)-4'-甲酰胺；(1,4'-二吡啶)-4'-甲脒；[1,4]Bi哌啶基-4-羧酰胺；(1,4"-二哌啶)-4"-甲酰胺
• 英文名称: [1,4']bipiperidinyl-4'-carboxylic acid amide
• 英文别名: (1,4’-bipiperidine)-4’-carboxamide；4-Aminocarbonyl-4-(piperidino)piperidine；4-carbamoyl-4-(1-piperidyl)piperidine；4-carbamyl-4-piperidinopiperidine；octahydro-[1,4']bipyridinyl-4'-carboxylic acid amide；(1,4'-bipiperidine)-4'-carboxamide；4-piperidin-1-ylpiperidine-4-carboxamide
• CAS: 39633-82-4
• 化学式: C₁₁H₂₁N₃O
• mdl: MFCD01631148
• 分子量: 211.307
• InChiKey: AUXZEVXPRCVGAO-UHFFFAOYSA-N

物化性质

• 熔点：
  129-132 °C
• 沸点：
  351°C (rough estimate)
• 密度：
  1.0221 (rough estimate)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 稳定性/保质期：
  常规情况下不会分解，没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  58.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn,C
• 危险类别码：
  R22,R34
• 海关编码：
  2933399090
• 安全说明：
  S26,S36/37/39,S45
• 储存条件：
  密封、阴凉、干燥保存

SDS

Name:	(1 4 -Bipiperidine)-4 -carboxamide 99+% Material Safety Data Sheet
Synonym:	Non
CAS:	39633-82-4

Section 1 - Chemical Product MSDS Name:(1 4 -Bipiperidine)-4 -carboxamide 99+% Material Safety Data Sheet
Synonym:Non

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
39633-82-4	(1,4'-Bipiperidine)-4'-carboxamide	99+%	254-548-2

Hazard Symbols: XN
Risk Phrases: 22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid. Wash mouth out with 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:

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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.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with skin and eyes. Take precautionary measures against static discharges. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 39633-82-4: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 130 - 132 deg C
Autoignition Temperature: 310 deg C ( 590.00 deg F)
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: 67 G/L WATER (20C)
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 211.31

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 39633-82-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(1,4'-Bipiperidine)-4'-carboxamide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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

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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.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 28B After contact with skin, wash immediately with
plenty of water and soap.
S 38 In case of insufficient ventilation, wear
suitable respiratory equipment.
WGK (Water Danger/Protection)
CAS# 39633-82-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 39633-82-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 39633-82-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (1,4’-二哌啶)-4’-甲酰胺 在 palladium on activated charcoal 氢气 、 sodium ethanolate 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 22.0h， 生成 1-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-2-yl)-4-piperidin-1-ylpiperidine-4-carboxamide
  参考文献：
  名称：

  饱和杂环，第172部分†。2,6-二取代的5,6,7,8-四氢吡啶并[4,3- d ]嘧啶衍生物的合成

  摘要：

  通过将丙烯酸甲酯添加到苄胺或α-氨基吡啶上，合成标题化合物，得到相应的二酯，例如。12，然后由后者进行Dieckmann缩合，得到酮酯13，将其与am和胍3，14缩合。通过氢解除去苄基并随后将所得化合物5中6位的氮原子烷基化，同时改变C-2上的取代基，得到了许多具有潜在生物学作用的产物；其中一些具有止痛和抗炎作用。

  DOI：

  10.1002/jhet.5570270708

文献信息

• Synthesis and Evaluation of (Piperidinomethylene)bis(phosphonic acid) Derivatives as Anti-osteoporosis Agents.
  作者：Mitsuo MIMURA、Mitsuo HAYASHIDA、Kiyoshi NOMIYAMA、Satoru IKEGAMI、Yasuhito IIDA、Makoto TAMURA、Yoshiyuki HIYAMA、Yoshitaka OHISHI

  DOI：10.1248/cpb.41.1971

  日期：——

  Some (piperidinomethylene)bis(phosphonic acid) derivatives were prepared and their activity to inhibit a rise in serum calcium induced by parathyroid hormone in thyroparathyroidectomised rats was evaluated. Several (4-alkylidene-, 4,4-dialkyl-, or 4-alkyl-4-halopiperidinomethylene)bis(phosphonic acid) derivatives showed considerable inhibitory activity. But compounds having aromatic and polar substituents

  制备了一些（哌啶子基亚甲基）双（膦酸）衍生物，并评估了它们抑制甲状旁腺切除的大鼠的甲状旁腺激素诱导的血清钙升高的活性。几种（4-亚烷基-，4,4-二烷基-或4-烷基-4-卤代哌啶亚基）双（膦酸）衍生物表现出相当大的抑制活性。但是在哌啶环上具有芳族和极性取代基如叠氮基，羟基，氨基和酰胺基的化合物通常是无活性的。在这项研究中，两种4-亚烷基化合物（8a和8b）和4,4-环二烷基化合物（61）在静脉内或经口给药时均显示出强大的活性。
• Cannabinoid receptor ligands and uses thereof
  申请人：Pfizer Inc.

  公开号：US20040214837A1

  公开（公告）日：2004-10-28

  Compounds of Formula (I) that act as cannabinoid receptor ligands and their uses in the treatment of diseases linked to the mediation of the cannabinoid receptors in animals are described herein. 1

  本文描述了作为大麻素受体配体的化合物（I）及其在治疗与动物体内大麻素受体介导相关疾病中的用途。
• An Auto-catalyzed Mannich-TypeReaction for Synthesis of Highly Substituted­ α-Aminomethylphosphonates
  作者：Rifang Yang、Rusheng Zhao、Lizhi Zhao、Liuhong Yun、Hai Wang

  DOI：10.1055/s-2003-38679

  日期：——

  It has been found that a Mannich-type reaction catalyzed by an intramolecular phenolic hydroxy group involves simply heating a hydroxybenzaldehyde with a secondary amine and a dialkyl phosphite in alcohol, produced highly substituted α-aminomethylphosphonates. The corresponding reaction can hardly be detected if the hydoxy group of the benzaldehyde is absent or blocked, or the hydroxybenzaldehyde is replaced by 2′-hydroxyacetophenone.

  研究发现，由分子内酚羟基催化的Mannich型反应，仅需将羟基苯甲醛与二级胺和双烷基磷酸酯在醇中加热便可进行，产生高度取代的α-氨基甲基磷酸酯。如果苯甲醛的羟基缺失或被阻挡，或者羟基苯甲醛被2'-羟基乙酰苯替代，则相应的反应几乎无法检测到。
• Synthesis of the <i>ortho</i>/<i>meta</i>/<i>para</i> Isomers of Relevant Pharmaceutical Compounds by Coupling a Sonogashira Reaction with a Regioselective Hydration
  作者：Antonio Leyva-Pérez、Jose R. Cabrero-Antonino、Paula Rubio-Marqués、Saud I. Al-Resayes、Avelino Corma

  DOI：10.1021/cs401075z

  日期：2014.3.7

  Aryl ketones substituted in ortho, meta, and para position are prepared by a palladium-catalyzed Sonogashira reaction followed by a regioselective hydration of the so-formed alkyne with triflimidic acid or a gold catalyst, under catalytic conditions. This methodology opens a way to obtain substituted aryl alkyl ketones from readily available starting materials, haloarenes, and terminal alkynes. The

  通过钯催化的Sonogashira反应，然后在催化条件下，用三氟乙二酸或金催化剂将形成的炔烃进行区域选择性水合，制得邻位，间位和对位取代的芳基酮。该方法学为从容易获得的起始原料，卤代芳烃和末端炔烃中获得取代的芳基烷基酮开辟了道路。介绍了氟哌啶醇，美潘酮，哌帕酮和布洛芬的不同区域异构体的合成。通过多巴胺能和环氧合酶结合试验研究了这些化合物的结构活性关系。
• PYRROLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF
  申请人：Barth Francis

  公开号：US20090281116A1

  公开（公告）日：2009-11-12

  The invention relates to compounds having the formula (I): Wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 9 and A-R 9 are as defined herein. Also disclosed are the preparative methods for the compounds of formula (I) and their use in therapy.

  这项发明涉及具有以下结构式（I）的化合物：其中R1、R2、R3、R4、R5、R6、R7和R9以及A-R9如本文所定义。还披露了结构式（I）化合物的制备方法以及它们在治疗中的用途。