2-苄氧基-1-乙胺盐酸盐 | 10578-75-3

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 2-苄氧基-1-乙胺盐酸盐
• 中文别名: 苄氧乙胺盐酸盐；2-苄氧基乙胺盐酸盐
• 英文名称: 2-(benzyloxy)ethanamine hydrochloride
• 英文别名: 2-(benzyloxy)ethan-1-amine hydrochloride；2-(benzyloxy)ethylamine hydrochloride；2-(phenylmethoxy)-ethylamine hydrochloride；2-Phenylmethoxyethylazanium;chloride；2-phenylmethoxyethylazanium;chloride
• CAS: 10578-75-3
• 化学式: C₉H₁₃NO*ClH
• 分子量: 187.669
• InChiKey: AFQMWBUNDONXED-UHFFFAOYSA-N

物化性质

• 熔点：
  142 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  35.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2922199090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302,H317,H319
• 储存条件：
  室温且干燥

SDS

Name:	2-(Benzyloxy)-1-ethanamine hydrochloride Material Safety Data Sheet
Synonym:	none know
CAS:	10578-75-3

Section 1 - Chemical Product MSDS Name:2-(Benzyloxy)-1-ethanamine hydrochloride Material Safety Data Sheet
Synonym:none know

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
10578-75-3	2-(Benzyloxy)-1-ethanamine hydrochlori	90+%	unlisted

Hazard Symbols: XN
Risk Phrases: 21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

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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.
Ingestion:
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:

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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.
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. Avoid generating dusty conditions.

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Section 7 - HANDLING and STORAGE
Handling:
Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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# 10578-75-3: 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: 142 - 143 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: C9H14ClNO
Molecular Weight: 187.67

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 10578-75-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(Benzyloxy)-1-ethanamine 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 21/22 Harmful in contact with skin and if
swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 10578-75-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 10578-75-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 10578-75-3 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：

  2-苄氧基-1-乙胺盐酸盐 在 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 4.0h， 生成 (rac)-benzyl trans-4-allyl-3-azido-1-(N-(2-(benzyloxy)ethyl)sulfamoyl)pyrrolidine-3-carboxylate
  参考文献：
  名称：

  [EN] ALKYLBORONIC ACIDS AS ARGINASE INHIBITORS
  [FR] ACIDES ALKYLBORONIQUES EN TANT QU'INHIBITEURS D'ARGINASE

  摘要：

  提供的是以化学式(I)表示的烷基硼酸作为精氨酸酶抑制剂，或其药用可接受的盐、立体异构体、互变异构体或前药，以及包含该化合物的药物组合物。

  公开号：

  WO2020160707A1
• 作为产物：
  描述：

  tert-butyl (2-(benzyloxy)ethyl)carbamate 在 三氟乙酸 作用下， 以61%的产率得到2-苄氧基-1-乙胺盐酸盐
  参考文献：
  名称：

  单链和双链碳氟化合物和烃半乳糖基两亲物的合成及其抗HIV-1活性

  摘要：

  半乳糖神经酰胺（GalCer）是一种替代受体，允许HIV-1进入CD4（-）/ GalCer（+）细胞。该糖鞘脂识别HIV gp120的V3环，该环在HIV包膜和细胞膜的融合中起关键作用。为了抑制HIV的吸收和感染，我们设计并合成了GalCer的类似物。这些两亲物和两亲物由β-连接至半乳糖和半乳糖胺的单和双碳氢化合物和/或碳氟化合物链组成。它们源自丝氨酸（GalSer），半胱氨酸（GalCys）和乙醇胺（GalAE）。在CEM-SS（CD4（+）细胞系），HT-29，表达高水平GalCer受体和/或HT29的CD4（-）细胞系中，对这些半乳糖脂的抗HIV活性和细胞毒性进行了体外评估。基因修饰以表达CD4。GalSer和GalAE衍生物，在水性介质中或作为脂质体制剂的一部分进行的测试显示适度的抗HIV-1活性（IC50在20-220 microM范围内），而GalCys衍生物均未发现有活性。

  DOI：

  10.1016/s0008-6215(00)00055-0

文献信息

• [EN] IMIDE AND ACYLUREA DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR<br/>[FR] DÉRIVÉS IMIDE ET ACYLURÉE UTILISÉS COMME MODULATEURS DU RÉCEPTEUR DE GLUCOCORTICOÏDES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015027021A1

  公开（公告）日：2015-02-26

  Novel non-steroidal compounds are provided which are useful in treating diseases or disorders associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-KB activity, including metabolic and inflammatory and immune diseases or disorders, having the structure of formula (I): an enantiomer, diastereomer, or tautomer thereof, or a pharmaceutically-acceptable salt thereof, in which the variables are as defined in the specification.

  提供了一种新型的非类固醇化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-KB活性调节相关的疾病或紊乱，包括代谢性、炎症性和免疫性疾病或紊乱，其结构如下式（I）：其对映体、二对映体或互变异构体，或其药用可接受盐，其中变量如规范中所定义。
• SuFExable Isocyanides for Ugi Reaction: Synthesis of Sulfonyl Fluoro Peptides
  作者：Shuheng Xu、Sunliang Cui

  DOI：10.1021/acs.orglett.1c01734

  日期：2021.7.2

  isocyanides were first developed as a new type of SuFExable synthon, and they are used as building blocks in the Ugi reaction (U-4CR). The Ugi reaction was established and the substrate scope was investigated, and various sulfonyl fluoro α-amino amides and peptides could be reached in a one-step synthesis. Therefore, this protocol opens a new vision for SuFExable building blocks and click chemistry, and it also

  在此，磺酰氟异氰化物首先被开发为一种新型的 SuFExable 合成子，它们被用作 Ugi 反应 (U-4CR) 的构建单元。建立了Ugi反应并考察了底物范围，一步合成可得到各种磺酰氟α-氨基酰胺和多肽。因此，该协议为 SuFExable 构建块和点击化学开辟了新视野，它还提供了一种独特的磺酰氟肽方法。
• Amphiphilic Anionic Analogues of Galactosylceramide:  Synthesis, Anti-HIV-1 Activity, and gp120 Binding
  作者：Barbara Faroux-Corlay、Jacques Greiner、Raphaël Terreux、Daniel Cabrol-Bass、Anne-Marie Aubertin、Pierre Vierling、Jacques Fantini

  DOI：10.1021/jm0011124

  日期：2001.6.1

  structure contains also an amino group or several hydroxyls or anionic groups, such as carboxylate, sulfate, sulfonate, and phosphate. Among the 12 new galactosylated compounds reported, a specific anti-HIV activity, although moderate (IC(50) from 10 to 50 microM), was detected only for three of them, i.e., I-GalSer[CO2Na][C14], II-GalSer[C14][C7SO3Na], and II-GalSer[C2SO4Na][C14], which contain an anionic

  我们描述了合成以及新的半乳糖基两亲物，半乳糖基神经酰胺类似物（一种用于HIV感染CD4阴性细胞的替代受体）的抗HIV-1活性和gp120-单层结合实验的结果。这些化合物由含有一个或两个半乳糖残基的单链和双链两亲物组成。为了有利于它们聚集成富含半乳糖基的微区，它们的分子结构还包含氨基或几个羟基或阴离子基团，例如羧酸根，硫酸根，磺酸根和磷酸根。在报告的12种新的半乳糖基化化合物中，虽然仅检测到其中三个I-GalSer [CO2Na] [C14]，II -GalSer [C14] [C7SO3Na]和II-GalSer [C2SO4Na] [C14]，它们含有一个阴离子基团。
• [EN] HETEROCYCLIC COMPOUNDS AS ARGINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE L'ARGINASE
  申请人：GUANGDONG NEWOPP BIOPHARMACEUTICALS CO LTD

  公开号：WO2019120296A1

  公开（公告）日：2019-06-27

  The present invention relates to heterocyclic compounds as arginase inhibitors, in particular to a compound represented by Formula (I), or a pharmaceutically acceptable salt, stereoisomer or tautomer, or prodrug thereof and a pharmaceutical composition comprising said compound.

  本发明涉及杂环化合物作为精氨酸酶抑制剂，特别是一种由化学式（I）表示的化合物，或其药学上可接受的盐、立体异构体或互变异构体，或其前药，以及包含该化合物的药物组合物。
• Ether substituted imidazopyridines
  申请人：——

  公开号：US20040010007A1

  公开（公告）日：2004-01-15

  Imidazopyridine compounds that contain an ether or thioether functionality at the 1-position are useful as immune response modifiers. The compounds and compositions of the invention can induce the biosynthesis of various cytokines and are useful in the treatment of a variety of conditions including viral diseases and neoplastic diseases. Methods of preparing the compounds and intermediates useful in the preparation of the compounds are also disclosed.

  含有醚或硫醚官能团在1-位置的咪唑吡啶化合物可用作免疫应答调节剂。本发明的化合物和组合物可以诱导各种细胞因子的生物合成，并可用于治疗包括病毒性疾病和肿瘤性疾病在内的各种疾病。还公开了制备这些化合物和制备这些化合物的中间体的方法。