(S)-(+)-2-甲氧基-苯乙胺 | 91298-74-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (S)-(+)-2-甲氧基-苯乙胺
• 英文名称: (S)-2-methoxy-1-phenylethylamine
• 英文别名: (1S)-2-methoxy-1-phenylethylamine；(S)-(+)-1-amino-1-phenyl-2-methoxyethane；(1S)-2-methoxy-1-phenylethan-1-amine；(S)-2-methoxy-1-phenylethan-1-amine；(1S)-2-methoxy-1-phenylethanamine；(S)-2-methoxy-1-phenylethanamine
• CAS: 91298-74-7
• 化学式: C₉H₁₃NO
• 分子量: 151.208
• InChiKey: CMTDMIYJXVBUDX-SECBINFHSA-N

物化性质

• 沸点：
  230.2±20.0 °C(Predicted)
• 密度：
  1.011±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  按规定使用和贮存的不会分解，应避免接触空气。

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  3
• 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：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 危险品运输编号：
  UN2735
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P260,P273,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335,H412
• 储存条件：
  储存条件：2-8°C，避光，惰性气体环境中保存。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: (S)-(+)-1-Amino-1-phenyl-2-methoxyethane
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: (S)-(+)-1-Amino-1-phenyl-2-methoxyethane
CAS number: 91298-74-7

---

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: C9H13NO
Molecular weight: 151.2

---

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.

---

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：

  (S)-(+)-2-甲氧基-苯乙胺 在 titanium(IV) isopropylate 、 Cyclopentylmagnesium chloride 、 magnesium sulfate 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 (R)-2-((S)-2-methoxy-1-phenylethylamino)-1,1,2-triphenylethanol
  参考文献：
  名称：

  钛介导的亚胺与酮或醛的交叉偶联反应：合成1,2-氨基醇的有效途径

  摘要：

  使用Ti（O i Pr）4 / c -C 5 H 9 MgCl试剂使亚胺与酮的交叉偶联反应在水解后生成1,2-氨基醇。与醛的偶联反应也可以得到1,2-氨基醇，但是，在某些情况下，以立体选择的方式获得了氮丙啶作为主要产物。

  DOI：

  10.1016/j.tetlet.2012.07.020
• 作为产物：
  描述：

  L-苯甘氨醇 在 sodium hydride 、 碘甲烷 作用下， 以 四氢呋喃 、 甲基叔丁基醚 为溶剂， 反应 4.5h， 以81%的产率得到(S)-(+)-2-甲氧基-苯乙胺
  参考文献：
  名称：

  Structure–activity study leading to identification of a highly active thienopyrimidine based EGFR inhibitor

  摘要：

  Based on the thieno[2,3-d]pyrimidine scaffold, a series of new 4-amino-6-aryl thienopyrimidines have been prepared and evaluated as EGFR tyrosine kinase inhibitors. The in vitro activity was found to depend strongly on the substitution pattern in the 6-aryl ring, the stereochemistry, and the basicity at the secondary 4-amino group. A stepwise optimization by combination of active fragments led to the discovery of three structures with EGFR IC50 < 1 nM. The most potent drug candidate had an IC50 of 0.3 nM towards EGFR and its mutants L858R and L861Q. Studies using human cancer cell lines and an EGFR-L858R reporter cell system revealed good cellular potency, verifying the identified thienopyrimidines as promising lead structures. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.01.042

文献信息

• PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：Jiangsu Hansoh Pharmaceutical Group Co., Ltd.

  公开号：US20200247815A1

  公开（公告）日：2020-08-06

  The present invention relates to pyrazolyl-containing tricyclic derivative, a preparation method therefor and the use thereof. In particular, the present invention relates to a compound as shown in the general formula (I), a preparation method therefor and a pharmaceutical composition containing the compound, and the use thereof as a protease such as ERK (MAPK) inhibitor in the treatment of cancers, bone diseases, inflammatory diseases, immunological diseases, nervous system diseases, metabolic diseases, respiratory diseases and heart diseases, wherein the definition of each substituent in the general formula (1) is the same as defined in the description.

  本发明涉及吡唑基含有的三环衍生物，其制备方法及其用途。具体而言，本发明涉及一种如通式(I)所示的化合物，其制备方法及含有该化合物的药物组合物，以及将其用作蛋白酶，如ERK（MAPK）抑制剂，用于治疗癌症、骨疾病、炎症性疾病、免疫疾病、神经系统疾病、代谢性疾病、呼吸系统疾病和心脏疾病，其中通式（1）中每个取代基的定义与描述中定义的相同。
• BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：Xenon Pharmaceuticals Inc.

  公开号：US20180162868A1

  公开（公告）日：2018-06-14

  This invention is directed to benzenesulfonamide compounds, as stereoisomers, enantiomers, tautomers thereof or mixtures thereof; or pharmaceutically acceptable salts, solvates or prodrugs thereof, for the treatment of diseases or conditions associated with voltage-gated sodium channels, such as epilepsy and/or epileptic seizure disorders.

  这项发明涉及苯磺酰胺化合物，作为其立体异构体、对映异构体、互变异构体或它们的混合物；或其药学上可接受的盐、溶剂合物或前药，用于治疗与电压门控钠通道相关的疾病或症状，如癫痫和/或癫痫发作障碍。
• [EN] BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLYL-MÉTHYLURÉE EN TANT QU'AGONISTES DU RÉCEPTEUR ALX
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2015019325A1

  公开（公告）日：2015-02-12

  The present invention relates to benzimidazolyl-methyl urea derivatives of formula (I), wherein n, D, E, R1, R2, R3, R4, R6, R7, R8 and R9 are as defined in the description, their preparation and their use as pharmaceutically active compounds.

  本发明涉及式(I)的苯并咪唑基甲基脲衍生物，其中n、D、E、R1、R2、R3、R4、R6、R7、R8和R9如描述中所定义，它们的制备以及它们作为药用活性化合物的用途。
• 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF
  申请人：ALLERGAN, INC.

  公开号：US20190047947A1

  公开（公告）日：2019-02-14

  Described herein are compounds, or pharmaceutically acceptable salts thereof, of the following formula: The compounds are useful for treating inflammatory and autoimmune diseases.

  本文描述了以下结构的化合物或其药用盐： 这些化合物可用于治疗炎症性和自身免疫性疾病。
• Optically active diethyl N-(p-toluenesulfonyl)-aziridine 2-phosphonates as chiral synthons for the synthesis of β-substituted α-amino phosphonates
  作者：E. Kurt Dolence、Jason B. Roylance

  DOI：10.1016/j.tetasy.2004.08.034

  日期：2004.10

  versatile approach for the synthesis of both protected enantiomers of aziridine 2-phosphonates for use as chiral synthons has been developed. The aziridines arise from either (R)- or (S)-phosphonoserine diethyl esters followed by N-tosylation, O-mesylation and cyclization with sodium hydride. These highly enantio-enriched aziridine 2-phosphonates have been shown to react with carbon, nitrogen, sulfur

  已经开发了一种通用的方法，用于合成用作手性合成子的两种保护的氮丙啶氮丙啶的两种对映体。氮丙啶衍生自（R）-或（S）-膦丝氨酸二乙酯，接着是N-甲苯磺酸化，O-甲磺酰化和用氢化钠环化。这些高度对映体富集的氮丙啶2-膦酸酯可与碳，氮，硫，氢化物，氟化物和磷亲核试剂反应，从而可在（R）中快速生成各种β-取代的α-氨基膦酸酯。-或（S）-配置。如果是巯基亲核试剂，则使用化学计量的Tri- n-丁基膦对于清洁生产相应的硫化物产品是必需的。利用手性HPLC方法监测合成过程，以评估可能得到的产物的对映体过量。