1-氨基茚满盐酸盐 | 70146-15-5

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: 1-氨基茚满盐酸盐
• 中文别名: 1-氨基茚满HCL；1-氨基茚盐酸盐；雷沙吉兰中间体
• 英文名称: 2,3-dihydro-1H-inden-1-amine hydrochloride
• 英文别名: 1-aminoindane hydrochloride；2,3-dihydro-1H-inden-1-amine; hydron; chloride；2,3-dihydro-1H-inden-1-amine;hydron;chloride
• CAS: 70146-15-5
• 化学式: C₉H₁₁N*ClH
• mdl: MFCD00054294
• 分子量: 169.654
• InChiKey: RHAAGWRBIVCBSY-UHFFFAOYSA-N

物化性质

• 熔点：
  206-210
• 沸点：
  225oC at 760 mmHg
• 密度：
  1.056 g/cm3
• 闪点：
  94.4oC
• 溶解度：
  DMSO（少量）、甲醇（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  1.64
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2921499090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2～8℃

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2,3-Dihydro-1H-inden-1-amine, HCl
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 2,3-Dihydro-1H-inden-1-amine, HCl
CAS number: 70146-15-5

---

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: C9H12ClN
Molecular weight: 169.7

---

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

反应信息

• 作为反应物：
  描述：

  1-氨基茚满盐酸盐 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 1-氨基茚满
  参考文献：
  名称：

  2,3-二氢-1H-inden-1-胺的尿素和硫脲衍生物的计算机模拟和体外抗氧化和抗癌活性谱

  摘要：

  摘要 通过2,3-二氢-1H-inden-1-胺与各种苯基异氰酸酯和异硫氰酸酯反应，合成了一系列新型脲和硫脲化合物。通过使用 1,1-二苯基-2-苦基肼 (DPPH) 自由基和一氧化氮 (NO) 自由基清除测定方法，包括 IC50 值，评估了这些化合物的抗氧化活性。一些化合物在两种测试方法中表现出潜在的活性。在该系列化合物中，与4-溴苯环（4b）相连的脲衍生物和与苯环（4e）、4-氟苯环（4f）和4-硝基苯环（4h）相连的硫脲衍生物被发现表现出良好的抗氧化活性，IC50 值低。其中四种标题化合物在使用 Aromatase 的计算机分子对接研究中表现出比参考化合物（伊马替尼）更高的结合能。所有合成的化合物均通过 IR、1H、13C NMR 和质谱数据进行表征。

  DOI：

  10.1080/10799893.2019.1710848
• 作为产物：
  描述：

  2,3-二氢-1H-茚-1-醇 在 sodium azide 、 三乙胺 、 三苯基膦 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 45.5h， 生成 1-氨基茚满盐酸盐
  参考文献：
  名称：

  可持续的有机磷催化施陶丁格还原

  摘要：

  已经开发出一种高效且可持续的Staudinger催化还原方法，用于以优异的产率将有机叠氮化物转化为胺。该反应对优异的官能团具有极好的官能团耐受性，这些官能团否则容易还原，例如砜，酯，酰胺，酮，腈，烯烃和苄基醚。通过使用PMHS，CPME和缺少柱色谱法可以举例说明反应的绿色性质。

  DOI：

  10.1039/c8gc02136h

文献信息

• 金属配合物、有机电致发光材料、有机电致发光器件
  申请人：北京诚志永华显示科技有限公司

  公开号：CN109608503A

  公开（公告）日：2019-04-12

  本发明公开了一种金属配合物和包含该金属配合物的有机电致发光器件、有机电致发光材料。本发明的金属配合物的分子式为M(LA)x(LB)y(Lc)z；本发明提出的金属配合物电致发光器件发光为深红色，外量子效率高，同时材料的热稳定性好，而且材料易制备、易提纯，是作为有机电致发光器件发光材料的理想选择。
• Cerium-Catalyzed C–H Functionalizations of Alkanes Utilizing Alcohols as Hydrogen Atom Transfer Agents
  作者：Qing An、Ziyu Wang、Yuegang Chen、Xin Wang、Kaining Zhang、Hui Pan、Weimin Liu、Zhiwei Zuo

  DOI：10.1021/jacs.0c00212

  日期：2020.4.1

  the utilization of light energy for the activation of organic substrates. Here, we demonstrate the catalytic application of ligand-to-metal charge-transfer (LMCT) excitation of cerium alkoxide complexes for the facile activation of alkanes utilizing abundant and inexpensive cerium trichloride as the catalyst. As demonstrated by cerium-catalyzed C-H amination and alkylation of hydrocarbons, this reaction

  现代光氧化还原催化传统上依赖于金属多吡啶基配合物的金属到配体电荷转移 (MLCT) 激发，以利用光能来活化有机底物。在这里，我们展示了铈醇盐配合物的配体-金属电荷转移（LMCT）激发的催化应用，以利用丰富且廉价的三氯化铈作为催化剂轻松活化烷烃。正如铈催化的 CH 胺化和烃的烷基化所证明的那样，这种反应歧管可以通过直接访问具有挑战性的烷氧基自由基，轻松地将大量醇用作实用和选择性的氢原子转移 (HAT) 试剂。此外，通过一系列光谱实验研究了 LMCT 激发事件，
• Co‐Catalyzed Synthesis of Primary Amines via Reductive Amination employing Hydrogen under very mild Conditions
  作者：Matthias Elfinger、Timon Schönauer、Sabrina L. J. Thomä、Robert Stäglich、Markus Drechsler、Mirijam Zobel、Jürgen Senker、Rhett Kempe

  DOI：10.1002/cssc.202100553

  日期：2021.6.8

  Nanostructured and reusable 3d-metal catalysts that operate with high activity and selectivity in important chemical reactions are highly desirable. Here, a cobalt catalyst was developed for the synthesis of primary amines via reductive amination employing hydrogen as the reducing agent and easy-to-handle ammonia, dissolved in water, as the nitrogen source. The catalyst operates under very mild conditions

  在重要的化学反应中具有高活性和选择性的纳米结构和可重复使用的 3d 金属催化剂是非常需要的。在这里，开发了一种钴催化剂，用于通过还原胺化反应合成伯胺，使用氢气作为还原剂，易处理的氨水溶解在水中，作为氮源。催化剂在非常温和的条件下运行（1.5 mol% 催化剂负载，50 °C 和 10 bar H 2压力）并优于市售的贵金属催化剂（Pd、Pt、Ru、Rh、Ir）。观察到广泛的范围和非常好的官能团耐受性。高活性的关键似乎是使用的载体：一种 N 掺杂的无定形碳材料，具有小的和乱层无序的石墨域，它是微孔的，具有双峰尺寸分布，并且在孔中具有基本的 NH 官能团。
• COMPOUNDS WITH NEURAL PROTECTIVE EFFECT, AND PREPARATION AND USE THEREOF
  申请人：GUANGZHOU MAGPIE PHARMACEUTICAL CO., LTD

  公开号：US20160326099A1

  公开（公告）日：2016-11-10

  The invention generally relates to compounds of formula (I) with neural protective effect, and preparation and uses thereof. The compounds have multiple mechanisms or functions, for example, inhibition of monoamine oxidase and cholinesterase, scavenging of free radicals, and protection of cells such as nerve cells. The compounds can be used for manufacture of medicaments of cell protection, for prevention and/or treatment of monoamine oxidase, cholinesterase and free radicals related diseases, for example, neurodegenerative diseases such as Alzheimer's disease, Parkinson's disease and stroke, and free-radical related diseases such as heart disease, myocardial ischemia, diabetes and other cardiovascular and cerebrovascular diseases.

  该发明通常涉及具有神经保护作用的化合物(I)的公式，以及其制备和用途。这些化合物具有多种机制或功能，例如，抑制单胺氧化酶和胆碱酯酶，清除自由基，并保护神经细胞等细胞。这些化合物可用于制造细胞保护药物，用于预防和/或治疗与单胺氧化酶、胆碱酯酶和自由基相关的疾病，例如，阿尔茨海默病、帕金森病和中风等神经退行性疾病，以及与自由基相关的疾病，如心脏病、心肌缺血、糖尿病和其他心血管和脑血管疾病。
• Carbonic anhydrase inhibitors. Design of anticonvulsant sulfonamides incorporating indane moieties
  作者：Celine Chazalette、Bernard Masereel、Stéphanie Rolin、Anne Thiry、Andrea Scozzafava、Alessio Innocenti、Claudiu T. Supuran

  DOI：10.1016/j.bmcl.2004.09.061

  日期：2004.12

  red blood cell isozyme hCA I (K(i)s in the range of 1.6-8.5 nM), which usually has a lower affinity for such inhibitors, as compared to isozyme II. Some derivatives also showed excellent hCA II inhibitory properties (K(i)s in the range of 2.3-12 nM), but the anticonvulsant activity of these sulfonamides was rather low as compared to that of other sulfonamide/sulfamate CA inhibitors, such as methazolamide

  从市售的1-和2-茚满胺开始制备了一系列带有茚满基部分的芳族磺酰胺，并研究了它们作为两种碳酸酐酶（CA，EC 4.2.1.1）同工酶hCA I和II的抑制剂的活性。结合了乙酰胺基，4-氯-苯甲酰基，丙戊酰基，四氟和五氟苯甲酰基的新磺酰胺可作为慢红细胞同工酶hCA I（K（i）在1.6-8.5 nM范围内）的非常有效的抑制剂，与同功酶II相比，其对此类抑制剂的亲和力通常较低。一些衍生物还表现出优异的hCA II抑制特性（K（i）s在2.3-12 nM范围内），但是与其他磺酰胺/氨基磺酸CA抑制剂（如甲唑酰胺）相比，这些磺酰胺的抗惊厥活性相当低。 。此外，