2-异丙氧基吡啶 | 16096-13-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-异丙氧基吡啶
• 英文名称: 2-isopropoxypyridine
• 英文别名: 2-(propan-2-yloxy)pyridine；2-Isopropyloxy-pyridin；2-propan-2-yloxypyridine
• CAS: 16096-13-2
• 化学式: C₈H₁₁NO
• mdl: MFCD11113404
• 分子量: 137.181
• InChiKey: IFZZDINNCWFGEO-UHFFFAOYSA-N

物化性质

• 沸点：
  179.5±13.0 °C(Predicted)
• 密度：
  0.979±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H227,H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2-Isopropoxypyridine
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-Isopropoxypyridine
CAS number: 16096-13-2

---

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: C8H11NO
Molecular weight: 137.2

---

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：

  2-异丙氧基吡啶 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以59%的产率得到2-isopropoxypyridine N-oxide
  参考文献：
  名称：

  具有特殊亲二烯性的稳定的 2,3-吡啶反应中间体

  摘要：

  据报道，2,3-吡啶 (2) 的 4-甲氧基、4-芳氧基和 4-噻吩氧基类似物 6-9 相对于 2 本身的亲二烯性增强。4-烷氧基-（22、23和25）和4-噻吩氧基-2-氯吡啶（24）在低温下的区域选择性锂化，然后消除氯化锂，得到4-烷氧基-和4-噻吩氧基吡啶，它们可以被捕获在与呋喃的 [4+2] 环加成反应中原位生成内氧化物 28-31，收率中等至良好（25-58%）。相比之下，在 C-4 处具有氢 (18) 或甲基 (12) 取代基的前体没有证据表明在这些条件下形成吡啶。由于 2-氯-6-异丙氧基-5-硫代吡啶的不稳定性，尝试从 2-氯-6-异丙氧基吡啶的低温锂化生成 6-异丙氧基-2,3-吡啶 (10) 的尝试没有成功。

  DOI：

  10.1002/ejoc.200400232
• 作为产物：
  描述：

  2-氨基吡啶 、 原甲酸三异丙酯 在 亚硝酸特丁酯 作用下， 反应 1.0h， 以81%的产率得到2-异丙氧基吡啶
  参考文献：
  名称：

  邻位烷氧基取代的吡啶类化合物的制备方法

  摘要：

  本发明提供一种邻位烷氧基取代的吡啶类化合物的制备方法，包括：使邻位氨基取代的吡啶类化合物与原甲酸酯类化合物在亚硝酸酯类化合物的存在下反应，生成所述邻位烷氧基取代的吡啶类化合物。本发明具有效率高、成本低、环保等优点。

  公开号：

  CN113354576B

文献信息

• BORON-CONTAINING SMALL MOLECULES
  申请人：Xia Yi

  公开号：US20100256092A1

  公开（公告）日：2010-10-07

  This invention relates to, among other items, 6-substituted benzoxaborole compounds and their use for treating bacterial infections.

  这项发明涉及6-取代苯硼酯化合物等物品，以及它们用于治疗细菌感染的用途。
• Modulators of Cystic Fibrosis Transmembrane Conductance Regulator
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：US20160095858A1

  公开（公告）日：2016-04-07

  The present invention features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R 1 , R 2 , R 3 , W, X, Y, Z, n, o, p, and q are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present invention also features pharmaceutical compositions, method of treating, and kits thereof.

  本发明涉及一种具有以下化学式I的化合物： 或其药用可接受的盐，其中R 1 ，R 2 ，R 3 ，W，X，Y，Z，n，o，p和q在此处定义，用于治疗CFTR介导的疾病，如囊性纤维化。本发明还涉及药物组合物、治疗方法和相关工具包。
• 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS
  申请人：MISSION THERAPEUTICS LIMITED

  公开号：US20200331888A1

  公开（公告）日：2020-10-22

  The present invention relates to novel compounds and methods for the manufacture of inhibitors of deubiquitylating enzymes (DUBs). In particular, the invention relates to the inhibition of ubiquitin C-terminal hydrolase 30 or ubiquitin specific peptidase 30 (USP30). The novel compounds have formula (I): (Formula (I)) or are pharmaceutically acceptable salts thereof, wherein: R 1a , R 1b , R 1c , R 1d , R 1e and R 1f each independently represent hydrogen, optionally substituted C 1 -C 6 alkyl or optionally substituted C 3 -C 4 cycloalkyl, or R 1b and R 1c together form an optionally substituted C 3 -C 6 cycloalkyl ring, or R 1d and R 1e together form an optionally substituted C 3 -C 6 cycloalkyl ring; R 2 represents hydrogen or optionally substituted C 1 -C 6 alkyl; A represents an optionally further substituted 5 to 10 membered monocyclic or bicyclic heteroaryl, heterocyclyl or aryl ring; L represents a covalent bond or linker; B represents an optionally substituted 3 to 10 membered monocyclic or bicyclic heterocyclyl, heteroaryl, cycloalkyl or aryl ring; and when -A-L-B is at position x attachment to A is via a carbon ring atom of A, and either: A cannot be triazolopyridazinyl, triazolopyridinyl, imidazotriazinyl, imidazopyrazinyl or pyrrolopyrimidinyl; or B cannot be substituted with phenoxyl; or B cannot be cyclopentyl when L is an oxygen atom.

  本发明涉及新化合物和制备去泛素化酶（DUBs）抑制剂的方法。具体而言，本发明涉及抑制泛素C-末端水解酶30或泛素特异性肽酶30（USP30）。这些新化合物的化学式为（I）：（化学式（I）），或其药学上可接受的盐，其中：R1a，R1b，R1c，R1d，R1e和R1f分别独立地代表氢，可选择地取代的C1-C6烷基或可选择地取代的C3-C4环烷基，或者R1b和R1c共同形成一个可选择地取代的C3-C6环烷基环，或者R1d和R1e共同形成一个可选择地取代的C3-C6环烷基环；R2代表氢或可选择地取代的C1-C6烷基；A代表一个可选择地进一步取代的5到10个成员的单环或双环杂环芳基，杂环烷基或芳基环；L代表一个共价键或连接物；B代表一个可选择地取代的3到10个成员的单环或双环杂环烷基，杂环芳基，环烷基或芳基环；当-A-L-B位于位置x时，通过A的一个碳环原子连接到A，且：A不能是三唑吡啶基，三唑吡啉基，咪唑三嗪基，咪唑吡嗪基或吡咯嘧啶基；或者B不能被苯氧基取代；或者当L是氧原子时，B不能是环戊基。
• [EN] TETRAZOLE CONTAINING COMPOUNDS<br/>[FR] COMPOSÉS CONTENANT DU TÉTRAZOLE
  申请人：BAYER PHARMA AG

  公开号：WO2018114783A1

  公开（公告）日：2018-06-28

  The present invention relates to tetrazole containing compounds of general formula (I) as described and defined herein, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease syndrome, condition, or symptoms, in particular related to chronic pain and inflammation, as a sole agent or in combination with other active ingredients.

  本发明涉及一般式（I）所述和定义的含有四唑基的化合物，以及包含该化合物的药物组合物和配方，以及利用该化合物制造用于治疗或预防疾病综合症、病况或症状的药物组合物，特别是与慢性疼痛和炎症相关的，作为唯一药剂或与其他活性成分组合使用。
• [EN] LIGAND-CONTROLLED C(SP3)-H ARYLATION AND OLEFINATION IN SYNTHESIS OF UNNATURAL CHIRAL ALPHA AMINO ACIDS<br/>[FR] ARYLATION COMMANDÉE PAR LIGAND DE C(SP3)-H ET OLÉFINATION UTILISABLES DANS LE CADRE DE LA SYNTHÈSE D'ACIDES ALPHA-AMINÉS CHIRAUX NON NATURELS
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2015131100A1

  公开（公告）日：2015-09-03

  The use of ligands to tune the reactivity and selectivity of transition metal-catalysts for C(-sp3)-H bond functionalization is a central challenge in synthetic organic chemistry. Herein, we report a rare example of catalyst-controlled C(sp3)-H arylation using pyridine and quinoline derivatives: the former promotes exclusive monoarylation, whereas the latter activates the catalyst further to achieve diarylation. Successive application of these ligands enables the sequential diarylation of a methyl group in an alanine derivative with two different aryl iodides, affording a wide range of β-Ar-p-Ar ' -cc-amino acids with excellent levels of diastereoselectivity (d.r. > 20:1). Both configurations of the β-chiral center can be accessed by choosing the order in which the aryl groups are installed. The use of a quinoline derivative as a ligand also enables C(sp3)-H olefination of a protected alanine.

  使用配体调节过渡金属催化剂对C(-sp3)-H键官能化的反应性和选择性是合成有机化学中的一个核心挑战。在这里，我们报告了一个罕见的催化剂控制的C(sp3)-H芳基化的例子，使用吡啶和喹啉衍生物：前者促进了独特的单芳基化，而后者进一步激活了催化剂以实现二芳基化。这些配体的连续应用使得在丙氨酸衍生物中的甲基基团上进行顺序二芳基化成为可能，使用两种不同的芳基碘化物，得到了一系列具有优异立体选择性的β-Ar-p-Ar' -cc-氨基酸（d.r. > 20:1）。通过选择芳基基团的安装顺序，可以访问β-手性中心的两种构型。使用喹啉衍生物作为配体还可以实现保护丙氨酸的C(sp3)-H烯烃化。