(R)-beta-甲基苯乙胺盐酸盐 | 34298-25-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (R)-beta-甲基苯乙胺盐酸盐
• 中文别名: (R)-BETA-甲基苯乙胺盐酸盐；R-beta-甲基苯乙胺盐酸盐
• 英文名称: (R)-2-phenylpropan-1-aminium chloride
• 英文别名: (R)-β-methylphenethylamine hydrochloride；(R)-2-phenylpropan-1-amine hydrochloride；(2R)-2-phenylpropan-1-amine;hydrochloride
• CAS: 34298-25-4
• 化学式: C₉H₁₃N*ClH
• 分子量: 171.67
• InChiKey: HBVYOCJBEXSCQE-QRPNPIFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.17
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (R)-(+)-beta-Methylphenethylamine, HCl
Synonyms: (2R)-2-Phenylpropan-1-amine hydrochloride

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

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Section 3. Composition/information on ingredients.
Ingredient name: (R)-(+)-beta-Methylphenethylamine, HCl
CAS number: 34298-25-4

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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.

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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.

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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.

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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:

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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.

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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: C9H14ClN
Molecular weight: 171.7

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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.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (R)-beta-甲基苯乙胺盐酸盐 在 钯 丙醇 、 4-二甲氨基吡啶 、 sodium hydroxide 、 乙醇 、 硫酸 、 potassium formate 、 potassium carbonate 、 溶剂黄146 、 三乙胺 作用下， 以 正己烷 、 二氯甲烷 、 水 为溶剂， 反应 7.6h， 生成 {(2R)-2-[4-(4-{2-[(methylsulfonyl)amino]ethyl}phenyl)phenyl]-propyl}[(methylethyl)sulfonyl]amine
  参考文献：
  名称：

  Sulfonamide derivatives

  摘要：

  本发明涉及一种具有式（I）的化合物或其药用可接受盐，用于治疗与谷氨酸功能不足相关的疾病，如精神疾病和神经系统疾病。

  公开号：

  US20030225163A1
• 作为产物：
  描述：

  α-甲基苯腈 在 water-wet 5% palladium on carbon 盐酸 、 乙醇 、 氢气 作用下， 以 水 为溶剂， 50.0~64.0 ℃ 、537.8 kPa 条件下， 反应 3.0h， 以76.2%的产率得到(R)-beta-甲基苯乙胺盐酸盐
  参考文献：
  名称：

  Sulfonamide derivatives

  摘要：

  本发明涉及一种具有式（I）的化合物或其药用可接受盐，用于治疗与谷氨酸功能不足相关的疾病，如精神疾病和神经系统疾病。

  公开号：

  US20030225163A1

文献信息

• Pd-catalyzed intramolecular C(sp²)–H amination of phenylalanine moieties in dipeptides: synthesis of indoline-2-carboxylate-containing dipeptides
  作者：Yong Zheng、Weibin Song、Yefu Zhu、Bole Wei、Lijiang Xuan

  DOI：10.1039/c8ob00207j

  日期：——

  A palladium-catalyzed intramolecular C(sp2)–H amination of phenylalanine moieties in dipeptides is described. By this protocol, a series of indoline-2-carboxylate-containing dipeptides were synthesized from dipeptides. The N-protected amino acid moiety within the peptide is used as an intrinsic bidentate directing group. This intramolecular C–H amination reaction provides an appealing strategy for

  描述了钯催化二肽中苯丙氨酸分子内的C（sp 2）-H胺化反应。通过该方案，从二肽合成了一系列含吲哚啉-2-羧酸酯的二肽。的Ñ -保护的肽内氨基酸部分被用作内在的二齿定向基团。分子内CH氨基化反应为多肽的合成后修饰提供了一种有吸引力的策略。
• 氟取代单咔唑类衍生物、其制备方法及应用
  申请人：广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院)

  公开号：CN111217741B

  公开（公告）日：2022-03-15

  本发明属于药物化学领域，涉及一种氟取代单咔唑类衍生物，为式(Ⅰ)、式(Ⅱ)所示化合物中的一种或多种，或式(Ⅰ)、式(Ⅱ)所示化合物形成的医学上可接受的可溶性盐中的一种或多种。本申请获得的氟取代单咔唑类衍生物，可用于制备DNA甲基转移酶抑制剂或组蛋白去甲基化酶抑制剂。本发明的氟取代单咔唑类衍生物对癌细胞增值有抑制作用，可用于制备治疗和/或预防癌症方面的药物。经体外癌细胞增殖抑制试验表明，本发明所得到的氟取代单咔唑类化合物表现出对人肺癌细胞(A549)、人结肠癌细胞(HCT116)、人胃癌细胞(MNK‑45)、人肝癌细胞(HepG2)、RPMI‑8226和Karpas 299的抗增殖活性。
• Dynamics of Chiral Cations in Two-Dimensional CuX₄ and PbX₄ Perovskites (X = Cl and Br)
  作者：Masaki Takahashi、Norihisa Hoshino、Kohei Sambe、Takashi Takeda、Tomoyuki Akutagawa

  DOI：10.1021/acs.inorgchem.0c01404

  日期：2020.8.17

  octahedron formed 2D perovskite layers, which were sandwiched by the bilayer molecular assembly of chiral organic ammonium cations. We found that the flexible and polar organic R-MPhA and R-DMOA cations in the 2D perovskites played an important role in the phase transition behavior and dielectric responses. Salts 2a–2d showed similar solid–solid (S1–S2) phase transitions, for which the temperatures decreased

  手性有机铵阳离子（（R）-2-甲基苯乙铵（R -MPhA）和（R）-3,7-二甲基辛基铵（R -DMOA））阳离子与[MX 4 ] 2-阴离子（M = Cu和Pb ，X = Cl和Br）形成二维（2D）钙钛矿：（R -MPhA）2 CuCl 4（1a），（R -MPhA）2 CuBr 4（1b），（R -DMOA）2 CuCl 4（图2a），（- [R -DMOA）2的CuBr 4（2b），（R -DMOA）2 PbCl 4（2c）和（R -DMOA）2 PbBr 4（2d）。MX 4八面体的点剪切形成2D钙钛矿层，其被手性有机铵阳离子的双层分子组装夹在中间。我们发现二维钙钛矿中的柔性极性有机R -MPhA和R -DMOA阳离子在相变行为和介电响应中起着重要作用。盐2a – 2d显示出相似的固-固（S1-S2）相变，其温度降低顺序为CuCl 4（2a）> PbCl 4（2c）> CuBr 4（2b）>
• Harnessing Alkyl Amines as Electrophiles for Nickel-Catalyzed Cross Couplings via C–N Bond Activation
  作者：Corey H. Basch、Jennie Liao、Jianyu Xu、Jacob J. Piane、Mary P. Watson

  DOI：10.1021/jacs.7b02389

  日期：2017.4.19

  strategy to harness alkyl amines as alkylating agents via C-N bond activation. This Suzuki-Miyaura cross coupling of alkylpyridinium salts, readily formed from primary amines, is the first example of a metal-catalyzed cross coupling via C-N bond activation of an amine with an unactivated alkyl group. This reaction enjoys broad scope and functional group tolerance. Primary and secondary alkyl groups can be

  我们开发了一种通过 CN 键活化利用烷基胺作为烷化剂的策略。这种烷基吡啶盐的 Suzuki-Miyaura 交叉偶联很容易由伯胺形成，是金属催化交叉偶联的第一个例子，通过 CN 键活化胺与未活化的烷基。该反应具有广泛的范围和官能团耐受性。可以安装伯和仲烷基。初步研究表明 NiI/NiIII 催化循环。
• Two-Dimensional Perovskite Chiral Ferromagnets
  作者：Bing Sun、Xiao-Fei Liu、Xiang-Yang Li、Yamin Zhang、Xiangfeng Shao、Dezheng Yang、Hao-Li Zhang

  DOI：10.1021/acs.chemmater.0c02729

  日期：2020.10.27

  Magnetic molecular materials with a chiral configuration are attractive candidates for sensing, information storage, and spintronics. Herein, we report the first example of two-dimensional hybrid perovskite chiral ferromagnets, (R-MPEA)2CuCl4 and (S-MPEA)2CuCl4. These two compounds exhibit strong oppositely signed circular dichroism signals and clear ferromagnetic behaviors. Magnetic measurements revealed

  具有手性构型的磁性分子材料是传感，信息存储和自旋电子学的有吸引力的候选物。在这里，我们报告二维混合钙钛矿手性铁磁体的第一个例子，（R -MPEA）2 CuCl 4和（S -MPEA）2 CuCl 4。这两种化合物表现出强相反的正负号二向色性信号和清晰的铁磁行为。磁性测量显示高达12.5 emu g –1的高饱和磁化强度。强手性和铁磁性的并存使他们的磁-手性二色性光谱得以成功研究。这些发现为未来的磁光和自旋电子应用展示了一个新的材料平台，为手性铁磁钙钛矿的结构-性质相关提供了见识。