4-哌啶甲酸盐酸盐 - CAS号 5984-56-5

物化性质

熔点：

295 °C
密度：

1.39g/cm3 at 20℃
LogP：

-3.2 at 20℃ and pH7
稳定性/保质期：

在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

辛醇/水分配系数(LogP)：

-2.59
重原子数：

10
可旋转键数：

1
环数：

1.0
sp3杂化的碳原子比例：

0.833
拓扑面积：

49.3
氢给体数：

3
氢受体数：

3

安全信息

危险品标志：

Xi
安全说明：

S26,S37/39
危险类别码：

R36/37/38
WGK Germany：

3
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：bc920e0400a530b189c0bea28e46afc3

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Name:	Isonipecotic acid hydrochloride 97% Material Safety Data Sheet
Synonym:	4-Piperidinecarboxylic acid, hydrochlorid
CAS:	5984-56-5

Section 1 - Chemical Product MSDS Name:Isonipecotic acid hydrochloride 97% Material Safety Data Sheet
Synonym:4-Piperidinecarboxylic acid, hydrochlorid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5984-56-5	Isonipecotic acid hydrochloride	97	unlisted

Hazard Symbols: XN
Risk Phrases: 22

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:
May cause irritation of the digestive tract. 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.

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.
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:

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:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
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# 5984-56-5: 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: Powder
Color: almost white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 295 deg C
Autoignition Temperature: 450 deg C ( 842.00 deg F)
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 295 deg C
Solubility in water: Soluble.
Specific Gravity/Density: Not available.
Molecular Formula: C6H11NO2.HCl
Molecular Weight: 165.62

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5984-56-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Isonipecotic acid 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: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 5984-56-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5984-56-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5984-56-5 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-哌啶甲酸盐酸盐在 sodium carbonate 作用下，以 1,4-二氧六环、水为溶剂，反应 12.0h，生成 4-(bromoacetyl)piperidine hydrobromide

参考文献：

名称：

Synthesis of tritium labelled (R) and (S)-3-aminoquinuclidine: A ubiquitous component of serotonin receptor ligands, part II

摘要：

(S)-3-Aminoquinuclidine-H-3 10c-S having a specific activity of 66 Ci/mmol was prepared in eight steps from Isonicotinic acid (2). Reduction of 2 with carrier free tritium gas over PtO2 in DMF gave isonipecotic acid-H-3 3c.Conversion to alpha-bromo ketone 5c followed by cyclization afforded 3-quinuclidone-H-3 6c. Racemic 3-amino-quinuclidine-H-3 8c was prepared by conversion of 6c to oxime 7c followed by reduction with NaBH4/NiCl2 . 6H(2)O. Racemic 8c was resolved with (R)-methylbenzyl isocyanate. Hydrolysis of 9c-S,R afforded (S)-3-aminoquinuclidine-H-3 10c-S. The enantiopurity was >99.5% (S).

DOI：

10.1002/(sici)1099-1344(199601)38:1<53::aid-jlcr812>3.0.co;2-f
作为产物：

描述：

异烟酸在氢气、盐酸作用下，以水为溶剂， 160.0 ℃ 、6.0 MPa 条件下，反应 24.0h，以98%的产率得到4-哌啶甲酸盐酸盐

参考文献：

名称：

使用氮改性的二氧化钛负载的钴催化剂对吡啶进行加氢

摘要：

通过用乙酸钴/三聚氰胺溶液浸渍二氧化钛并随后进行热解来制备新型的非均相催化剂。所得材料通过将氮部分引入载体中而显示出不同寻常的氮改性钛结构。最佳的催化剂显示出良好的活性和选择性，可以在无酸条件下以水为溶剂，挑战吡啶的氢化反应。

DOI：

10.1002/anie.201803426

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文献信息

[EN] TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS<br/>[FR] INHIBITEURS DE PRMT5 DÉRIVÉS DE TÉTRAHYDROISOQUINOLÉINE

申请人：CTXT PTY LTD

公开号：WO2016034673A1

公开（公告）日：2016-03-10

A compound of formula I wherein: n is 1 or 2: p is 0 or 1; R1 is optionally one or more halo or methyl groups; R2a and R2b are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R2c and R2d are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R3a and R3b are independently selected from H and Me; R4 is either H or Me; R5 is either H or Me; R6a and R6b are independently selected from H and Me; A is either (i) optionally substituted phenyl; (ii) optionally substituted naphthyl; or (iii) optionally substituted C5-12 heteroaryl.

式I的化合物，其中：n为1或2；p为0或1；R1可选地为一个或多个卤素或甲基基团；R2a和R2b分别选自以下组：(i) F；(ii) H；(iii) Me；和(iv) CH2OH；R2c和R2d分别选自以下组：(i) F；(ii) H；(iii) Me；和(iv) CH2OH；R3a和R3b分别选自H和Me；R4为H或Me；R5为H或Me；R6a和R6b分别选自H和Me；A为(i)可选地取代的苯基；(ii)可选地取代的萘基；或(iii)可选地取代的C5-12杂环基。
[EN] HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF<br/>[FR] DÉRIVÉS HÉTÉROAROMATIQUES ET LEURS APPLICATIONS PHARMACEUTIQUES

申请人：SUNSHINE LAKE PHARMA CO LTD

公开号：WO2016034134A1

公开（公告）日：2016-03-10

Disclosed are heteroaryl derivatives, pharmaceutical composition and uses in the manufacture of a medicine for treating respiratory diseases, especially for chronic obstructive pulmonary disease (COPD).

公开的是杂芳基衍生物、药物组合物及其在制造用于治疗呼吸道疾病、特别是慢性阻塞性肺病（COPD）的药物中的用途。
신규한 메타논 유도체, 이의 제조방법 및 이를 유효성분으로 함유하는 망막 질환의 예방 또는 치료용 약학적 조성물

申请人：The Industry & Academic Cooperation in Chungnam National University (IAC) 충남대학교산학협력단(220040084104) BRN ▼314-82-09264

公开号：KR101555033B1

公开（公告）日：2015-09-23

본 발명은 신규한 메타논 유도체, 이의 제조방법, 및 이를 유효성분으로 함유하는 망막 질환의 예방 또는 치료용 약학적 조성물에 관한 것으로, 본 발명에 따른 신규한 메타논 유도체, 이의 광학 이성질체, 또는 이의 약학적으로 허용가능한 염은 RIPK1(Receptor-interacting serine/threonine-protein kinase 1)의 억제 효과가 뛰어나므로, 이를 유효성분으로 함유하는 조성물은 색소성 망막염 (RP), 레베르 선천 흑암시 (LCA), 스타가르트병, 어셔 증후군, 맥락막 결여, 로드-콘 또는 콘-로드 디스트로피, 섬모병증, 미토콘드리아 장애, 진행성 망막 위축증, 퇴행성 망막 질환, 노화-관련된 황반 변성 (AMD), 습성 AMD, 건성 AMD, 지도상 위축증, 가족형 또는 획득 황반병증, 망막 광수용체 질환, 망막 색소 상피-계 질환, 당뇨병성 망막증, 낭포성 황반 부종, 포도막염, 망막박리, 외상성 망막 손상, 의원성 망막 손상, 황반 원공, 황반 모세관확장증, 신경절 세포 질환, 시신경 세포 질환, 녹내장, 시신경병증, 허혈성 망막 질환, 미숙아 망막증, 망막 혈관 폐색, 가족형 마크로아뉴리즘, 망막 혈관 질환, 안혈관 질환, 녹내장으로 인한 망막신경세포 퇴화, 또는 허혈성 시신경병증 등의 망막 질환의 예방 또는 치료용 약학적 조성물로 유용하게 사용될 수 있다.

本发明涉及一种新型的甲酮衍生物，其制备方法，以及用作视网膜疾病的预防或治疗药物组合物，根据本发明，由于新型的甲酮衍生物，其光学异构体或药学上可接受的盐具有出色的RIPK1（受体相互作用丝氨酸/苏氨酸蛋白激酶1）抑制作用，因此包含其作为有效成分的组合物可用作色素性视网膜炎（RP），勒贝尔先天性黑暗症（LCA），斯塔加特病，阿什尔综合征，脉络膜缺陷，罗德-锥或锥-罗德萎缩症，圆锥细胞病，线粒体疾病，进行性视网膜萎缩症，变性性视网膜疾病，与衰老相关的黄斑变性（AMD），湿性AMD，干性AMD，地图样萎缩症，家族性或获得性黄斑病变，视网膜光感受器疾病，视网膜色素上皮相关疾病，糖尿病性视网膜病变，囊性黄斑水肿，葡萄膜炎，视网膜脱离，创伤性视网膜损伤，原发性视网膜损伤，黄斑囊肿，黄斑脉络膨胀症，神经节细胞疾病，视神经细胞疾病，青光眼，视神经病变，缺血性视网膜疾病，未成熟婴儿视网膜病变，视网膜血管闭塞，家族性巨动脉瘤，视网膜血管疾病，眼内血管疾病，由青光眼引起的视神经细胞退化，或缺血性视神经病变等视网膜疾病的预防或治疗药物组合物可被有效地使用。
[EN] HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS<br/>[FR] DÉRIVÉS HÉTÉROARYLDIHYDROPYRIMIDINE ET MÉTHODES DE TRAITEMENT D'INFECTIONS PAR LE VIRUS DE L'HÉPATITE B

申请人：JANSSEN PHARMACEUTICA NV

公开号：WO2019001420A1

公开（公告）日：2019-01-03

Provided herein are compounds useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

本文提供了一些用于治疗HBV感染的化合物，以及其药物组合物和抑制、抑制或预防受试者HBV感染的方法。
[EN] HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF<br/>[FR] ANTAGONISTES DE LA VOIE HEDGEHOG ET LEURS APPLICATIONS THÉRAPEUTIQUES

申请人：SIENA BIOTECH SPA

公开号：WO2010142426A1

公开（公告）日：2010-12-16

Heterocyclic compounds that modulate the hedgehog signaling pathway, pharmaceutical composition thereof and their therapeutic applications.

调节刺猬信号通路的杂环化合物，以及其药用组合物和治疗应用。

4-哌啶甲酸盐酸盐 | 5984-56-5

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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