3-(2-甲基丙氧基)丙腈 | 58936-28-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-(2-甲基丙氧基)丙腈
• 英文名称: 3-Isobutyloxy-propionsaeurenitril
• 英文别名: 3-(2-Methylpropoxy)propiononitrile；3-(2-methylpropoxy)propanenitrile
• CAS: 58936-28-0
• 化学式: C₇H₁₃NO
• mdl: MFCD06252351
• 分子量: 127.186
• InChiKey: PHLODXGIZNXWBL-UHFFFAOYSA-N

物化性质

• 沸点：
  208.0±13.0 °C(Predicted)
• 密度：
  0.881±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-(2-Methylpropoxy)propanenitrile
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: 3-(2-Methylpropoxy)propanenitrile
CAS number: 58936-28-0

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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: C7H13NO
Molecular weight: 127.2

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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

• 作为产物：
  描述：

  异丁醇 、 丙烯腈 在 2-氰基吡啶 、 cerium(IV) oxide 作用下， 反应 8.0h， 生成 3-(2-甲基丙氧基)丙腈
  参考文献：
  名称：

  通过金属氧化物改性形成新的强碱性氮阴离子

  摘要：

  开发具有独特且前所未有的催化性能的新型杂化材料对化学家来说是一个挑战，而多相-均相杂化催化剂由于期望由组分组合产生的优选和特殊性能而备受关注。碱催化剂作为关键材料广泛应用于有机合成中，一类新的碱催化剂在学术和工业上都产生了很大的影响。在这里，提出了通过同质和异质成分的杂交来创建新的强碱的原理。它是利用金属氧化物的酸碱性质，用金属氧化物对有机化合物进行改性。基于动力学和 DFT 研究，CeO2 和 2-氰基吡啶的组合使 2-氰基吡啶的碱性显着提高了约 109 倍（pKa（在 CH3CN 中）约为 9），估计 pKa 为 21，这将其置于超强碱类别中。2-氰基吡啶和CeO2通过两种相互作用模式形成独特的吸附复合物：（i）CeO2的Ce原子与2-氰基吡啶中吡啶环的N原子之间的配位相互作用，以及（ii）表面O原子之间的共价相互作用通过将 CeO2 的晶格氧加成到 2-氰基吡啶的 CN 基团上，CeO2

  DOI：

  10.1021/jacs.7b05227

文献信息

• AMIDITE FOR SYNTHESIZING MODIFIED NUCLEIC ACID AND METHOD FOR SYNTHESIZING MODIFIED NUCLEIC ACID
  申请人：FUJIHARA Tsuyoshi

  公开号：US20090062521A1

  公开（公告）日：2009-03-05

  To provide an excellent amidite for synthesizing modified nucleic acid, which enables a protective group therein to be removed under a moderate condition, thereby stably producing a hydroxyl group-containing modified nucleic acid, and a method for synthesizing modified nucleic acid using the amidite. Specifically, an amidite for synthesizing modified nucleic acid, expressed by General Formula (I): where X represents a base, Y represents a substituent, Z represents a protective group for protecting a hydroxyl group in the substituent, and Q represents one of a hydrogen atom, a hydroxyl group and a hydroxyl group protected by a protective group, wherein the protective group can be removed in an aprotic solvent, and when the protective group is removed, the hydroxyl group emerges in the substituent, and a method for synthesizing modified nucleic acid using the amidite.

  提供一种用于合成修饰核酸的优良酰胺试剂，该试剂可使其中的保护基在适度条件下被去除，从而稳定地产生含有羟基的修饰核酸，并提供一种使用该酰胺试剂合成修饰核酸的方法。具体而言，该酰胺试剂的通式表示为（I）式，其中X代表一种碱基，Y代表一种取代基，Z代表一种用于保护取代基中羟基的保护基，Q代表氢原子、羟基或被保护基保护的羟基中的一种，其中保护基可在无水溶剂中被去除，当保护基被去除时，羟基出现在取代基中，同时提供使用该酰胺试剂合成修饰核酸的方法。
• TETRACYCLIC INHIBITORS OF JANUS KINASES
  申请人：Rodgers James D.

  公开号：US20090215766A1

  公开（公告）日：2009-08-27

  The present invention provides compounds that modulate the activity of Janus kinases and are useful in the treatment of diseases related to activity of Janus kinases including, for example, immune-related diseases and cancer.

  本发明提供了一种可以调节Janus激酶活性的化合物，这些化合物可用于治疗与Janus激酶活性相关的疾病，例如免疫相关疾病和癌症。
• ANTI-VIRAL COMPOUNDS
  申请人：Aligos Therapeutics, Inc.

  公开号：US20220009903A1

  公开（公告）日：2022-01-13

  Provided herein are compounds of Formula (I), or pharmaceutically acceptable salts thereof, pharmaceutical compositions that include a compound described herein (including pharmaceutically acceptable salts of a compound described herein) and methods of synthesizing the same. Also provided herein are methods of treating diseases and/or conditions with a compound of Formula (I), or a pharmaceutically acceptable salt thereof.
• US7910726B2
  申请人：——

  公开号：US7910726B2

  公开（公告）日：2011-03-22
• US8299225B2
  申请人：——

  公开号：US8299225B2

  公开（公告）日：2012-10-30