(2-氯吡啶-4-基)甲胺盐酸盐 | 916210-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: (2-氯吡啶-4-基)甲胺盐酸盐
• 英文名称: (2-chloropyridin-4-yl)methanamine hydrochloride
• 英文别名: (2-chloropyridin-4-yl)methanamine;hydrochloride
• CAS: 916210-98-5
• 化学式: C₆H₇ClN₂*ClH
• 分子量: 179.049
• InChiKey: BWSUKLOBJGMGCJ-UHFFFAOYSA-N

物化性质

• 溶解度：
  水：≥ 50 mg/mL (279.25 mM)；DMSO：≥ 33 mg/mL (184.31 mM)

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  38.9
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  储存温度为2-8°C，并应保存在惰性气体中。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: (2-Chloropyridin-4-yl)methanamine hydrochloride
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: (2-Chloropyridin-4-yl)methanamine hydrochloride
CAS number: 916210-98-5

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H8Cl2N2
Molecular weight: 179.0

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

产品描述

2-氯-4-氨甲基吡啶（又称为1-(2-氯吡啶-4-基)甲胺盐酸盐）是一种广泛应用于有机合成的化学品，可用于制备某些除草剂和杀菌剂。

产品用途

2-氯-4-氨甲基吡啶可以用于制备取代的3-杂芳基异噁唑啉-5-甲酰胺和3-杂芳基异噁唑啉-5-硫代酰胺，这些化合物可作为高效的除草剂和杀真菌剂。

反应信息

• 作为反应物：
  描述：

  (2-氯吡啶-4-基)甲胺盐酸盐 在 potassium phosphate 、 dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 3.67h， 生成 3-{5-[4-(aminomethyl)pyridin-2-yl]-1-oxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-2,6-dione
  参考文献：
  名称：

  COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN

  摘要：

  公开的化合物为Formula (I)的化合物或其盐，其中：Z为CR6R6或C═O；环A为：而R1、R2、R3、R4、R5、m和n在此处有定义。还公开了使用这些化合物抑制Helios蛋白的方法，以及包含这些化合物的药物组合物。这些化合物在治疗病毒感染和增生性疾病（如癌症）方面非常有用。

  公开号：

  US20210147383A1
• 作为产物：
  描述：

  2-氯-4-氰基吡啶 在 fac-[Mn(1,2-bis(di-n-propylphosphino)ethane)(CO)₃(CH₃)] 、 氢气 、 盐酸 作用下， 以 甲苯 、 乙醚 为溶剂， 100.0 ℃ 、5.0 MPa 条件下， 反应 18.0h， 以88%的产率得到(2-氯吡啶-4-基)甲胺盐酸盐
  参考文献：
  名称：

  旧概念，新应用-空气稳定的烷基Mn（I）络合物催化的腈无加氢加氢。

  摘要：

  描述了一种有效的无添加剂锰催化的分子氢将腈氢化为伯胺的方法。预催化剂，定义明确的台式稳定烷基双膦Mn（I）配合物fac- [Mn（dpre）（CO）3（CH3）]（dpre = 1,2-双（二-正丙基膦基）乙烷），经过CO迁移插入到锰-烷基键中以形成酰基络合物，该络合物经氢解后生成活性的配位不饱和的Mn（I）氢化物催化剂[Mn（dpre）（CO）2（H）]。一系列芳香族和脂肪族腈被有效地和选择性地转化为伯胺，收率良好至极佳。腈的氢化反应在100℃下进行，催化剂负载量为2 mol％，氢气压力为50 bar。通过DFT计算提供了机械方面的见解。

  DOI：

  10.1002/adsc.201901040

文献信息

• HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME
  申请人：EA PHARMA CO., LTD.

  公开号：US20160332999A1

  公开（公告）日：2016-11-17

  The present invention provides a compound represented by the formula (I): wherein each symbol is as defined in the DESCRIPTION, or a pharmaceutically acceptable salt thereof. The compound has a superior TRPA1 antagonist activity, and can provide a medicament useful for the prophylaxis or treatment of diseases involving TRPA1 antagonist and TRPA1.

  本发明提供了一种由公式(I)表示的化合物： 其中，每个符号如说明书中所定义，或者其药用可接受的盐。该化合物具有优越的TRPA1拮抗剂活性，并且可以提供一种用于预防或治疗涉及TRPA1拮抗剂和TRPA1的疾病的药物。
• [EN] SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS<br/>[FR] COMPOSÉS DE SULFONAMIDE HÉTÉROCYCLIQUES SUBSTITUÉS UTILES COMME MODULATEURS DE TRPA1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015052264A1

  公开（公告）日：2015-04-16

  The invention is concerned with the compounds of formula I or II: and salts thereof. In addition, the present invention relates to methods of manufacturing and methods of using the compounds of formula I or II as well as pharmaceutical compositions containing such compounds. The compounds may be useful in treating diseases and conditions mediated by TRPA1, such as pain.

  本发明涉及式I或II的化合物及其盐。此外，本发明还涉及制备这些化合物的方法以及使用这些化合物的方法，以及含有这些化合物的药物组合物。这些化合物可能对治疗由TRPA1介导的疾病和状况，如疼痛，具有用途。
• [EN] 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES<br/>[FR] 3-AMINO -1,5,6,7-TÉTRAHYDRO-4 H-INDOL-4-ONES
  申请人：BAYER PHARMA AG

  公开号：WO2015193339A1

  公开（公告）日：2015-12-23

  Compounds of formula (I) which are inhibitors of Bub1 kinase, processes for their production and their use as pharmaceuticals.

  式(I)的化合物是Bub1激酶的抑制剂，其制备方法及其作为药物的用途。
• SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS
  申请人：CZECHTIZKY Werngard

  公开号：US20130065859A1

  公开（公告）日：2013-03-14

  The present invention relates to substituted 2-(chroman-6-yloxy)-thiazoles of the formula I, in which Ar, R2, R3 and R4 are as defined in the claims. The compounds of the formula I are inhibitors of the sodium-calcium exchanger (NCX), especially of the sodium-calcium exchanger of subtype 1 (NCX1), and are suitable for the treatment of diverse disorders in which intracellular calcium homeostasis is disturbed, such as arrhythmias, heart failure and stroke. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use as pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及式I的取代2-(色甘醇-6-氧基)-噻唑衍生物，其中Ar、R2、R3和R4如权利要求中所定义。式I的化合物是钠-钙交换蛋白（NCX）的抑制剂，特别是亚型1的钠-钙交换蛋白（NCX1），适用于处理细胞内钙离子稳态受扰的各种疾病，如心律失常、心力衰竭和中风。本发明还涉及制备式I的化合物的方法，它们作为药物的用途，以及包含它们的药物组合物。
• [EN] LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE LYSYL OXYDASE-LIKE 2 ET UTILISATIONS DESDITS INHIBITEURS
  申请人：PHARMAKEA INC

  公开号：WO2017003862A1

  公开（公告）日：2017-01-05

  Described herein are compounds that are LOXL2 inhibitors, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with LOXL2 activity.

  本文描述了一些是LOXL2抑制剂的化合物，制备这些化合物的方法，包含这些化合物的制药组合物和药物，以及使用这些化合物治疗与LOXL2活性相关的疾病、病症或疾病的方法。