4-氯呋喃基吡啶 | 31270-80-1

• 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 - 有机杂环化合物 - 呋喃吡啶类
• 中文名称: 4-氯呋喃基吡啶
• 中文别名: 4-氯呋喃并[3,2-c]吡啶
• 英文名称: 4-chlorofuro[3,2-c]pyridine
• 英文别名: 4-chlorofuro<3,2-c>pyridine；4-Chlorofuro <3,2-c> pyridin
• CAS: 31270-80-1
• 化学式: C₇H₄ClNO
• mdl: MFCD02179768
• 分子量: 153.568
• InChiKey: OPFFYLJLHPZSEO-UHFFFAOYSA-N

物化性质

• 熔点：
  41 °C
• 沸点：
  243℃
• 密度：
  1.377
• 闪点：
  101℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8℃，惰性气体

SDS

Name:	4-Chlorofuro[3 2-c]pyridine 95+% Material Safety Data Sheet
Synonym:
CAS:	31270-80-1

Section 1 - Chemical Product MSDS Name:4-Chlorofuro[3 2-c]pyridine 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
31270-80-1	4-Chlorofuro[3,2-c]pyridine	95+%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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. Immediately 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. Wash mouth out with 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:
Treat symptomatically and supportively.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
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.
Store under nitrogen.

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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# 31270-80-1: Personal Protective Equipment Eyes: Not available.
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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 40 - 42 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: C7H4ClNO
Molecular Weight: 153.57

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Bases, strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 31270-80-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chlorofuro[3,2-c]pyridine - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 31270-80-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 31270-80-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 31270-80-1 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：

  4-氯呋喃基吡啶 在 正丁基锂 、 palladium on activated charcoal 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 5.0h， 生成 呋喃并[3,2-c]吡啶-2-羧酸
  参考文献：
  名称：

  [EN] SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF
  [FR] ACTIVATEURS À PETITES MOLÉCULES DE NICOTINAMIDE PHOSPHORIBOSYLTRANSFÉRASE (NAMPT) ET LEURS UTILISATIONS

  摘要：

  本文提供了尼古丁酰胺磷酸核糖转移酶（NAMPT）的小分子激活剂，包括这些化合物的组合物，以及使用这些化合物和组合物的方法。

  公开号：

  WO2018132372A1
• 作为产物：
  描述：

  呋喃-2-丙烯酸叠氮化物 在 三正丁胺 、 三氯氧磷 作用下， 反应 13.0h， 生成 4-氯呋喃基吡啶
  参考文献：
  名称：

  新型基于呋喃并[3,2-c]吡啶的铱配合物，用于高性能有机发光二极管，具有超过30％的外部量子效率

  摘要：

  一种新的基于呋喃[3,2-c]吡啶的Ir配合物，即（pfupy）2Ir（acac），已通过在C ^ N配体中用氧替代硫而得到开发。与含噻吩的（pthpy）2Ir（acac）相比，LUMO含量升高，而HOMO含量几乎保持不变。结果，发射最大值从（pthpy）2Ir（acac）的556 nm蓝移到（pfupy）2Ir（acac）的538 nm，同时提高了0.80的光致发光量子产率。基于（pfupy）2Ir（acac）的相应器件无需任何外耦合技术即可实现创纪录的30.5％（110.5 cd / A）的外部量子效率（EQE）。即使在1000和5000 cd / m2的亮度下，EQE仍分别保持在26.6％（96.4 cd / A）和25.6％（92.7 cd / A），表明效率下降缓慢。

  DOI：

  10.1039/c7tc03937a
• 作为试剂：
  描述：

  tert-butyl 5-(3,5-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)indoline-1-carboxylate 在 三氟乙酸 、 4-氯呋喃基吡啶 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 1.0h， 以92%的产率得到6-(indolin-5-yl)-1,5-dimethylpyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  非儿茶酚 G 蛋白偏向和无偏向多巴胺 D1 受体激动剂的合成和药理学评价。

  摘要：

  非儿茶酚杂环化合物最近被发现是具有优越药代动力学特性的强效和选择性 G 蛋白偏向多巴胺 1 受体 (D1R) 激动剂。为了确定以 G 蛋白或 β-arrestin 信号偏倚为中心的构效关系，围绕先导化合物 5 (PF2334) 的三个芳香药效团采用了系统的药物化学，生成了一系列新分子，这些分子在 D1R Gs- HEK293 细胞中依赖 cAMP 信号传导和 β-抑制蛋白募集。在这里，我们报告了化学合成、药理学评估和分子对接研究，这些研究导致了两种新型非儿茶酚 D1R 激动剂的鉴定，它们是亚纳摩尔强效无偏配体 19 (PW0441) 和纳摩尔强效完全 G 蛋白偏向配体 24 (PW0464)，分别。

  DOI：

  10.1021/acsmedchemlett.9b00050

文献信息

• [EN] AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION<br/>[FR] DÉGRONIMÈRES DE C3-GLUTARIMIDE LIÉS À UNE AMINE POUR LA DÉGRADATION DE PROTÉINES CIBLES
  申请人：C4 THERAPEUTICS INC

  公开号：WO2017197051A1

  公开（公告）日：2017-11-16

  This invention provides amine-linked C3-glutarimide Degronimers and Degrons for therapeutic applications as described further herein, and methods of use and compositions thereof as well as methods for their preparation.

  这项发明提供了胺连接的C3-戊二酰亚胺Degronimers和Degrons，用于治疗应用，如本文进一步描述的，以及它们的使用方法、组合物以及它们的制备方法。
• Suzuki–Miyaura cross-coupling reaction of aryl and heteroaryl pinacol boronates for the synthesis of 2-substituted pyrimidines
  作者：Shigehiro Asano、Seiji Kamioka、Yoshiaki Isobe

  DOI：10.1016/j.tet.2011.10.057

  日期：2012.1

  Suzuki–Miyaura cross-coupling reaction with 2-heteroarylboronic acids is generally challenging due to these acids easy decomposition. To overcome this problem, we developed a coupling method that uses 2-heteroaryl pinacol boronates in the presence of 1.0 mol % Pd(OAc)2 and 2.0 mol % S-Phos with 4 equiv amount of LiOH in dioxane and H2O at 80 °C for 30 min. This developed method allowed for the synthesis

  由于这些酸易于分解，因此与2-杂芳基硼酸的铃木-宫浦交叉偶联反应通常具有挑战性。为克服此问题，我们开发了一种偶合方法，该方法在1.0 mol％Pd（OAc）2和2.0 mol％S-Phos的存在下，在80％的二恶烷和H 2 O中于80摩尔下使用2-杂芳基频哪醇硼酸酯°C 30分钟。这种发达的方法允许从2-氯嘧啶基衍生物高产率地合成各种各样的2-杂芳基嘧啶，并且还可以用于由杂芳基氯化物制备各种联芳基衍生物。
• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HEPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003099274A1

  公开（公告）日：2003-12-04

  Hepatitis C virus inhibitors are disclosed having the general formula:(I) wherein R1, R2, R3, R', B, Y and X are described in the description. Compositions comprising the compounds and methods for using the compounds toinhibit HCV are also disclosed.

  丙型肝炎病毒抑制剂公开了具有以下通式：其中R1、R2、R3、R'、B、Y和X在描述中有所描述。还公开了包含该化合物的组合物以及使用该化合物抑制HCV的方法。
• HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME
  申请人：EA PHARMA CO., LTD.

  公开号：US20160332999A1

  公开（公告）日：2016-11-17

  The present invention provides a compound represented by the formula (I): wherein each symbol is as defined in the DESCRIPTION, or a pharmaceutically acceptable salt thereof. The compound has a superior TRPA1 antagonist activity, and can provide a medicament useful for the prophylaxis or treatment of diseases involving TRPA1 antagonist and TRPA1.

  本发明提供了一种由公式(I)表示的化合物： 其中，每个符号如说明书中所定义，或者其药用可接受的盐。该化合物具有优越的TRPA1拮抗剂活性，并且可以提供一种用于预防或治疗涉及TRPA1拮抗剂和TRPA1的疾病的药物。
• [EN] SULFONYL PYRIDYL TRP INHIBITORS<br/>[FR] INHIBITEURS DE SULFONYLPYRIDYLE TRP
  申请人：HOFFMANN LA ROCHE

  公开号：WO2018029288A1

  公开（公告）日：2018-02-15

  The invention is concerned with the compounds of formula I: (I) and pharmaceutically acceptable salts thereof where R1 is a substituted or unsubstituted phenyl or a fused bicyclic comprising a substituted or unsubstituted phenyl. In addition, the present invention relates to methods of manufacturing and methods of using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds may be useful in treating diseases and conditions mediated by TRPA1, such as pain.

  本发明涉及公式I的化合物：(I)以及其中R1是取代的或未取代的苯基或包含取代的或未取代的苯基的并环双环的 pharmaceutically 可接受的盐。此外，本发明还涉及制造和使用公式I化合物的方法以及包含此类化合物的药物组合物。这些化合物可能对治疗由TRPA1介导的疾病和状况，如疼痛，是有用的。