(R)-(+)-N-苄基-Α-甲基苯胺盐酸盐 | 128593-66-8

• 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)-(+)-N-苄基-Α-甲基苯胺盐酸盐
• 中文别名: (R)-(+)-N-苄基-Alpha-甲基苯胺盐酸盐
• 英文名称: (R)-N-benzyl-(α-methyl-benzyl)amine hydrochloride
• 英文别名: (R)-N-benzyl-1-phenylethylamine hydrochloride；(R)-N-benzyl-α-methylbenzylamine hydrochloride；(R)-(1-phenyl-ethyl)-amine; hydrochloride；(R)-(1-phenyl-aethyl)-amin; Hydrochlorid；(R)-(+)-N-benzyl-α-phenylethylamine hydrochloride salt；(R)-(+)-N-Benzyl-1-phenylethylamine hydrochloride；(1R)-N-benzyl-1-phenylethanamine;hydrochloride
• CAS: 128593-66-8
• 化学式: C₁₅H₁₇N*ClH
• 分子量: 247.768
• InChiKey: TYJQMFZZCANDIQ-BTQNPOSSSA-N

物化性质

• 熔点：
  181-183 °C
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2921499090

SDS

Name:	(R)-(+)-N-Benzyl-1-phenylethylamine hydrochloride 99% Material Safety Data Sheet
Synonym:	(R)-(+)-N-Benzyl-1-phenylethylamine hydrochloride
CAS:	128593-66-8

Section 1 - Chemical Product MSDS Name:(R)-(+)-N-Benzyl-1-phenylethylamine hydrochloride 99% Material Safety Data Sheet
Synonym:(R)-(+)-N-Benzyl-1-phenylethylamine hydrochloride

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
128593-66-8	(R)-(+)-N-Benzyl-1-phenylethylamine hy	99%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes 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: Immediately 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. 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:
Treat symptomatically and supportively.

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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. 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 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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:
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# 128593-66-8: 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: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 181 - 183 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H5CH2NHCH(CH3)C6H5.HCl
Molecular Weight: 247.77

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 128593-66-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(R)-(+)-N-Benzyl-1-phenylethylamine hydrochloride - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 128593-66-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 128593-66-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 128593-66-8 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：

  (R)-(+)-N-苄基-Α-甲基苯胺盐酸盐 在 potassium hydroxide 作用下， 反应 3.0h， 以89%的产率得到(R)-benzylidene-(1-phenylethyl)amine
  参考文献：
  名称：

  由 ( R )-(+)-α-甲基苄胺和 (+)-柠檬烯 1,2-环氧化物合成柠檬烯 β-氨基醇

  摘要：

  以( R )-(+)-α-甲基苄胺为起始原料，转化为两种胺，得到两种新的β-氨基醇化合物。在作为催化剂的水的存在下，这些化合物中的每一种都与顺式和反式-柠檬烯氧化物的1:1混合物过量反应。获得的产物表明，获得了衍生自反式-柠檬烯氧化物的β-氨基醇，并且获得了来自反应混合物的未反应的顺式-柠檬烯氧化物以及胺。而在水的存在下，将合成的相同伯胺的氨基甲酸酯添加到顺式和反式柠檬烯氧化物的 1:1 混合物中会导致水解产物和未反应的回收反式柠檬烯氧化物。

  DOI：

  10.1016/j.molstruc.2021.130691
• 作为产物：
  描述：

  N-乙基苯胺 在 盐酸 作用下， 以 1,4-二氧六环 、 乙醚 、 水 为溶剂， 以93.7%的产率得到(R)-(+)-N-苄基-Α-甲基苯胺盐酸盐
  参考文献：
  名称：

  Method of producing optically active cyclopropane derivatives

  摘要：

  一种解决光学不纯的3-氧杂-2-氧代双环[3.1.0]己烷-1-羧酸酯的方法。提供了一种制备1-烷氧羰基-2-羟甲基环丙烷-1-羧酸.N-苄基-.alpha.-苯乙胺对映体盐的方法。将N-苄基-.alpha.-苯乙胺的对映体之一与1-烷氧羰基-2-羟甲基环丙烷-1-羧酸反应，产生富含一种盐的对映体的沉淀。在分离光学活性盐后，可以分离N-苄基-.alpha.-苯乙胺以产生相应的1-烷氧羰基-2-羟甲基环丙烷-1-羧酸。在酸性条件下，羧酸和羟基基团发生环闭合，形成光学活性的3-氧杂-2-氧代双环[3.1.0]己烷-1-羧酸酯。

  公开号：

  US05900492A1

文献信息

• Stereoselective syntheses and transformations of chiral 1,3-aminoalcohols and 1,3-diols derived from nopinone
  作者：Zsolt Szakonyi、Tímea Gonda、Sándor Balázs Ötvös、Ferenc Fülöp

  DOI：10.1016/j.tetasy.2014.06.017

  日期：2014.8

  benzaldehyde. 1,3-Aminoalcohol 6a was prepared from (−)-nopinone 2 via stereoselective Mannich condensation and reduction of the resulting β-amino ketone 4. The key aminoalcohol 6a was transformed into primary, secondary and tertiary substituted aminoalcohols in order to study the effect of the substituent on catalytic activity. Starting from (−)-nopinone, cis- and trans-β-hydroxy esters 15 and 16

  1,3-双官能蒎烷衍生物的文库的合成和作为添加二乙基锌对苯甲醛的手性催化剂施加。1,3-氨基醇6A（ - ） -立体选择性通过曼尼希缩合和还原所得β氨基酮的诺蒎酮2制备自4。键的氨基醇6A转化到伯，仲和叔氨基醇取代的为了研究对催化活性的取代基的影响。（ - ） -从开始诺蒎酮，顺式-和反式-β-羟基酯15和16在一个两步骤立体选择性合成方法制备。羟基酯的还原导致了基于蒎烷-1,3-二醇，而酯，随后DCC介导的酰胺化和随后的还原，导致水解顺式-和反式- ñ -苄基-1,3-二氨基醇8和23。反式- Ñ苄基-1,3-氨基醇8还制备通过选择性单去苄基6A经由在H-Cube®系统连续流动过程。将所得的氨基醇与二醇施加如二乙基锌和苯甲醛的反应的手性催化剂。
• Synthesis and Biological Application of Isosteviol-Based 1,3-Aminoalcohols
  作者：Dániel Ozsvár、Viktória Nagy、István Zupkó、Zsolt Szakonyi

  DOI：10.3390/ijms222011232

  日期：——

  3-aminoalcohol derivatives were stereoselectively synthesised. The acid-catalysed hydrolysis and rearrangement of natural stevioside gave isosteviol, which was transformed to the key intermediate methyl ester. In the next step, Mannich condensation of diterpenoid ketone, paraformaldehyde, and secondary amines resulted in the formation of 1,3-aminoketones with different stereoselectivities. During the

  以异甜菊醇为原料，立体选择性地合成了一系列二萜类 1,3-氨基醇衍生物。天然甜菊糖苷的酸催化水解和重排得到异甜菊醇，将其转化为关键中间体甲酯。在下一步中，二萜酮、多聚甲醛和仲胺的曼尼希缩合导致形成具有不同立体选择性的 1,3-氨基酮。在与二苄胺的曼尼希缩合过程中，有趣的N-苄基 → N观察到-甲基取代基交换。1,3-氨基酮的还原产生非对映异构的1,3-氨基醇。或者，通过立体选择性羟基甲酰化获得氨基醇，然后进行肟制备、还原，最后将获得的伯氨基醇还原烷基化。通过在两步合成中对从异甜菊醇中获得的中间体 3-羟基醛进行还原胺化，制备了另一种 1,3-氨基醇文库。研究了化合物对人肿瘤细胞系（A2780、SiHa、HeLa、MCF-7 和 MDA-MB-231）的细胞毒活性。在我们的初步研究中，1,3-氨基醇的功能和N-苄基取代似乎对于可靠的抗增殖活性是必不可少的。为了扩展其应用，还尝试制备与 2-苯基亚氨基-1
• Chirality transcription and amplification by [2]pseudorotaxanes
  作者：Shunsuke Kuwahara、Rie Chamura、Sho Tsuchiya、Mari Ikeda、Yoichi Habata

  DOI：10.1039/c2cc38758a

  日期：——

  Chirality transcription and amplification by the formation of chiral [2]pseudorotaxanes by an achiral crown ether having the 2′,2′′-quaterphenyl group and chiral sec-ammonium ions are reported. It was revealed that the absolute configurations of the chiral sec-ammonium ions can be detected directly from the CD spectra of the chiral [2]pseudorotaxanes.

  报告了通过具有 2′,2′′-四联苯基团的非手性冠醚和手性仲铵离子形成手性[2]假杉烷的手性转录和放大。研究表明，手性仲铵离子的绝对构型可以直接从手性[2]伪对二甲苯的 CD 光谱中检测到。
• Intranasal cyclic peptide formulations
  申请人：——

  公开号：US20010038824A1

  公开（公告）日：2001-11-08

  The present invention relates to a nasally administrable composition of a physiologically active cyclic peptide and pharmaceutically acceptable salts thereof that is prepared by homogeneously dispersing a physiologically active cyclic peptide such as antifungal cyclic peptides (aerothricins, echinocandin analogs, pneumocandin analogs, and aureobacidines), antibacterial cyclic peptides (e.g. vancomycin, daptomycin), cyclosporin A, lanreotide, vapreotide, vasopressin antagonist (U.S. Pat. No. 5,095,003) and eptifibatide in unique carrier, i.e. a physiologically acceptable powdery or crystalline carrier containing a water insoluble polyvalent metal carrier, or organic carrier having a mean particle size of 20 to 500 &mgr;m, in the presence or absence of an absorption enhancer and by homogeneously adsorbing onto the carrier, and its use for therapeutic treatment of disease such as systemic fungal infections by intranasal administration. The composition can be nasally administered in powder form.

  本发明涉及一种鼻腔可给药的生理活性环肽及其药学上可接受的盐的组合物，该组合物通过将生理活性环肽（如抗真菌环肽（气菌素、伊曲康定类似物、肺孢子菌素类似物和金黄色细菌素）、抗菌环肽（如万古霉素、达托霉素）、环孢霉素A、兰雷罗肽、瓦普雷罗肽、抗利尿激素拮抗剂（美国专利号5,095,003）和依普利贝肽）均匀分散在独特的载体中制备而成，即含有水不溶性多价金属载体或平均粒径为20至500微米的有机载体的生理上可接受的粉状或结晶载体中，存在或不存在吸收增强剂，通过均匀吸附到载体上，并用于通过鼻内给药治疗疾病，如系统真菌感染。该组合物可以以粉剂形式鼻腔给药。
• Process for the preparation of optically active 4-oxochroman-2-carboxylic acid derivatives
  申请人：SANWA KAGAKU KENKYUSHO CO., LTD.

  公开号：EP0488047A1

  公开（公告）日：1992-06-03

  There is described a process for the preparation of optically active 4-oxochroman-2-carboxylic acid derivatives as intermediates for synthesizing hydantoin compounds which shows strong inhibition to aldose reductases to cure incurable complications of diabetes. According to the process, the derivatives are prepared by fractionally recrystallizing a salt of racemic 4-oxochroman-2-carboxylic acid derivative with an optically active secondary amine or diamine.

  本发明描述了一种制备光学活性的4-氧代色基-2-羧酸衍生物的方法，作为合成咪唑烷类化合物的中间体，该化合物对醛糖还原酶表现出强烈的抑制作用，可治疗糖尿病的难以治愈的并发症。根据该方法，通过用光学活性的二元胺或二胺盐对外消旋的4-氧代色基-2-羧酸衍生物进行分馏结晶来制备这些衍生物。