2-氨基-1,3-二甲氧基丙烷 | 78531-29-0

• 物质功能分类: 有机原料 - 氨基化合物 - 含氧基氨基化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氨基-1,3-二甲氧基丙烷
• 英文名称: 2-amino-1,3-dimethoxypropane
• 英文别名: 1,3-dimethoxypropan-2-amine；1,3-dimethoxypropane-2-amine；N-(1,3-dimethoxypropan-2-yl)amine；1,3-dimethoxy-2-propylamine
• CAS: 78531-29-0
• 化学式: C₅H₁₃NO₂
• 分子量: 119.164
• InChiKey: DSZCUJHVOLGWBO-UHFFFAOYSA-N

物化性质

• 沸点：
  160.8±25.0 °C(Predicted)
• 密度：
  0.932±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 海关编码：
  2922199090
• 包装等级：
  III
• 危险类别：
  3,8
• 危险性防范说明：
  P201,P261,P280,P310,P305+P351+P338
• 危险品运输编号：
  2924
• 危险性描述：
  H225,H314
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-1,3-dimethoxypropane
Synonyms:

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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: 2-Amino-1,3-dimethoxypropane
CAS number: 78531-29-0

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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: C5H13NO2
Molecular weight: 119.2

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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.

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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：

  2-氨基-1,3-二甲氧基丙烷 在 二吡啶硫碳酸酯 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 以93%的产率得到2-isothiocyanato-1,3-dimethoxypropane
  参考文献：
  名称：

  [EN] CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR
  [FR] COMPOSÉS DE TRIAZOLE À SUBSTITUTION CYCLOALKYLE EN TANT QU'AGONISTES DU RÉCEPTEUR APJ

  摘要：

  公式I和公式II的化合物，其药用盐，上述任何一个的立体异构体，或它们的混合物是APJ受体的激动剂，可能用于治疗心血管和其他疾病。公式I和公式II的化合物具有以下结构：(I) (II)，其中变量的定义在此提供。

  公开号：

  WO2018093577A1
• 作为产物：
  描述：

  (2-Methoxy-1-methoxymethyl-ethyl)-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 反应 2.0h， 以12.2 g的产率得到2-氨基-1,3-二甲氧基丙烷
  参考文献：
  名称：

  具有手性胺的立体规则聚（（4-羧基苯基）乙炔）的螺旋诱导机制以及与非手性胺相互作用辅助的大分子螺旋度记忆

  摘要：

  Cis-transoidal poly((4-carboxyphenyl)乙炔) (poly-1) 是一种光学惰性聚合物，但在与光学活性胺（如 (R)-(1-(1-naphthyl)）络合后形成诱导的单手螺旋结构)乙基)胺((R)-2)的DMSO溶液。该配合物在聚合物骨架的紫外-可见光区显示出特征性的诱导圆二色性 (ICD)。此外，即使在 (R)-2 被各种非手性胺完全取代后，由 (R)-2 诱导的 poly-1 的大分子螺旋也可以被“记忆”。我们现在通过紫外-可见光、CD 和红外光谱对 poly-1 的螺旋手性的螺旋诱导和记忆机制进行全面详细的研究。我们发现，在 poly-1 的羧基与旋光胺形成离子对时，在 poly-1 上协同诱导单手螺旋，并且手性胺的体积对于诱导过量的单手螺旋。另一方面，在用非手性胺取代手性胺后，发现自由离子的形成对于 poly-1 的大分子螺旋度记忆是必不可少的，因为

  DOI：

  10.1021/ja0318378

文献信息

• [EN] BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE COMME INHIBITEURS DES BROMODOMAINES
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2016146738A1

  公开（公告）日：2016-09-22

  Compounds of formula (I) and salts thereof: wherein R1, R2, R3, R4 are defined herein. Compounds of formula (I) and salts thereof have been found to inhibit the binding of the BET family of bromodomain proteins to, for example, acetylated lysine residues and thus may have use in therapy, for example in the treatment of autoimmune and inflammatory diseases, such as rheumatoid arthritis; and cancers.

  式（I）的化合物及其盐：其中R1、R2、R3、R4在此处定义。已发现式（I）的化合物及其盐能够抑制BET家族的溴结构域蛋白与例如乙酰化赖氨酸残基的结合，因此可能在治疗中发挥作用，例如在治疗自身免疫和炎症性疾病（如类风湿性关节炎）和癌症方面。
• [EN] TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR<br/>[FR] COMPOSÉS PHÉNYLE TRIAZOLE EN TANT QU'AGONISTES DU RÉCEPTEUR APJ
  申请人：AMGEN INC

  公开号：WO2018093579A1

  公开（公告）日：2018-05-24

  Compounds of Formula I and Formula II, pharmaceutically acceptable salt thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and may have use in treating cardiovascular and other conditions. Compounds of Formula I and Formula II have the following structures: (I), (II) where the definitions of the variables are provided herein.

  公式I和公式II的化合物，其药用盐，上述任何一个的立体异构体，或它们的混合物是APJ受体的激动剂，可能用于治疗心血管和其他疾病。公式I和公式II的化合物具有以下结构：(I)，(II)，其中变量的定义在此提供。
• [EN] TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR<br/>[FR] COMPOSÉS DE TRIAZOLE FURANE UTILISÉS EN TANT QU'AGONISTES DU RÉCEPTEUR APJ
  申请人：AMGEN INC

  公开号：WO2018097944A1

  公开（公告）日：2018-05-31

  Compounds of Formula (I) and Formula (II), pharmaceutically acceptable salt thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and have use in treating cardiovascular and other conditions. Compounds of Formula (I) and Formula (II) have the following structures: (I); (II). Intermediates (V) are also claimed.

  式(I)和式(II)的化合物，其药用盐，任何上述化合物的立体异构体，或它们的混合物是APJ受体的激动剂，并且在治疗心血管和其他疾病方面有用。式(I)和式(II)的化合物具有以下结构：(I); (II)。中间体(V)也被要求。
• HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF
  申请人：CHOY Allison Laura

  公开号：US20100317624A1

  公开（公告）日：2010-12-16

  Compounds of formula (IA) and their pharmaceutically acceptable salts are described. Processes for their preparation, pharmaceutical compositions containing them, their use as medicaments and their use in the treatment of bacterial infections are also described.

  公式（IA）的化合物及其药用可接受的盐被描述。还描述了它们的制备过程、含有它们的药物组合物、它们作为药物的使用以及它们在治疗细菌感染中的用途。
• [EN] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS<br/>[FR] COMPOSÉS INDOLIQUES UTILES EN TANT QUE MODULATEURS DU RÉCEPTEUR DES ANDROGÈNES
  申请人：NIDO BIOSCIENCES INC

  公开号：WO2022020342A1

  公开（公告）日：2022-01-27

  Provided herein are compounds of formula (V) that bind to BF3 of an androgen receptor (AR), which can modulate the AR for the treatment of Kennedy's disease.

  本文提供了一种公式（V）的化合物，它们与雄激素受体（AR）的BF3结合，可以调节AR以治疗肯尼迪病。