5-碘-2-苯氧基吡啶 | 352018-92-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-碘-2-苯氧基吡啶
• 英文名称: 5-iodo-2-phenoxypyridine
• CAS: 352018-92-9
• 化学式: C₁₁H₈INO
• mdl: MFCD02681952
• 分子量: 297.095
• InChiKey: JCEXQQNAXWYXRX-UHFFFAOYSA-N

物化性质

• 沸点：
  339.8±27.0 °C(Predicted)
• 密度：
  1.694±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R20/21/22
• 海关编码：
  2933399090
• 安全说明：
  S36/37

SDS

Name:	5-Iodo-2-phenoxypyridine 95+% Material Safety Data Sheet
Synonym:
CAS:	352018-92-9

Section 1 - Chemical Product MSDS Name:5-Iodo-2-phenoxypyridine 95+% Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
352018-92-9	5-Iodo-2-phenoxypyridine	95+%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
Chronic:
Not available.

---

Section 4 - FIRST AID MEASURES
Eyes: 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:

---

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.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

---

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.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 352018-92-9: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Oil
Color: brown
Odor: characteristic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C11H8INO
Molecular Weight: 297.09

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen iodide, iodine.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 352018-92-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Iodo-2-phenoxypyridine - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 352018-92-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 352018-92-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 352018-92-9 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-碘-2-苯氧基吡啶 以 水 、 乙腈 为溶剂， 生成 dichloro[2-[(5-iodo-2-pyridinyl-κN)oxy]phenyl-κC]gold
  参考文献：
  名称：

  取代的2-苯氧基吡啶衍生物和金X射线晶体结构，二氯Cycloauration [2 - [[5 - [（环戊基氨基）羰基] -2-吡啶基-κ Ñ ]氧基]苯基κ Ç ] - ，（SP - 4-3）-

  摘要：

  在CH 3 CN / H 2 O介质中对吡啶环5位上具有不同取代基的2-苯氧基吡啶进行直接环化，从而分离出环化化合物AuCl 2（L）（HL =取代的2-苯氧基吡啶配体）具有烷基，取代的烷基，苯基，卤素，酯基和酰胺基。化合物的制备包括在室温下通过吡啶配体与NaAuCl 4的配位反应形成中间体AuCl 3（HL），然后在高温下在CH 3 CN / H 2中形成Au-C键。哦，中等。庞大的亲脂性基团的存在降低了环化化合物的收率，并有利于反应物种分解成Au（0）。对于在吡啶环中具有强吸电子取代基（硝基或腈）的配体，未观察到配位反应。具有供电子二甲基氨基的配体在室温下被NaAuCl 4氧化。噻吩基或乙酰基的存在允许分离中间体AuCl 3（HL），但对随后的循环auauration有不利影响。甲基取代的2-苯氧基吡啶配体的直接环金原子化的结果表明，在吡啶环中最靠近Au-N（py）键的6位甲基的存在导

  DOI：

  10.1016/s0022-328x(03)00347-4
• 作为产物：
  描述：

  2-溴-5-硝基吡啶 在 盐酸 、 tin 、 硫酸 、 水 、 potassium carbonate 、 sodium nitrite 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 7.0h， 生成 5-碘-2-苯氧基吡啶
  参考文献：
  名称：

  取代的2-苯氧基吡啶衍生物和金X射线晶体结构，二氯Cycloauration [2 - [[5 - [（环戊基氨基）羰基] -2-吡啶基-κ Ñ ]氧基]苯基κ Ç ] - ，（SP - 4-3）-

  摘要：

  在CH 3 CN / H 2 O介质中对吡啶环5位上具有不同取代基的2-苯氧基吡啶进行直接环化，从而分离出环化化合物AuCl 2（L）（HL =取代的2-苯氧基吡啶配体）具有烷基，取代的烷基，苯基，卤素，酯基和酰胺基。化合物的制备包括在室温下通过吡啶配体与NaAuCl 4的配位反应形成中间体AuCl 3（HL），然后在高温下在CH 3 CN / H 2中形成Au-C键。哦，中等。庞大的亲脂性基团的存在降低了环化化合物的收率，并有利于反应物种分解成Au（0）。对于在吡啶环中具有强吸电子取代基（硝基或腈）的配体，未观察到配位反应。具有供电子二甲基氨基的配体在室温下被NaAuCl 4氧化。噻吩基或乙酰基的存在允许分离中间体AuCl 3（HL），但对随后的循环auauration有不利影响。甲基取代的2-苯氧基吡啶配体的直接环金原子化的结果表明，在吡啶环中最靠近Au-N（py）键的6位甲基的存在导

  DOI：

  10.1016/s0022-328x(03)00347-4

文献信息

• [EN] ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF<br/>[FR] DÉRIVÉS D'ÉTHYNE, COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012032014A1

  公开（公告）日：2012-03-15

  invention relates to new compounds of the formula I to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  这项发明涉及公式I的新化合物，涉及它们作为药物的用途，涉及它们的治疗用途的方法，以及含有它们的药物组合物。
• New compounds, pharmaceutical compositions and uses thereof
  申请人：ROTH Gerald Juergen

  公开号：US20120214782A1

  公开（公告）日：2012-08-23

  The invention relates to new compounds of the formula I to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  这项发明涉及公式I的新化合物，以及它们作为药物的用途，它们的治疗用途的方法，以及含有它们的药物组合物。
• Aminoarenethiolato-copper(I) as (pre-)catalyst for the synthesis of diaryl ethers from aryl bromides and sequential C–O/C–S and C–N/C–S cross coupling reactions
  作者：Elena Sperotto、Gerard P.M. van Klink、Johannes G. de Vries、Gerard van Koten

  DOI：10.1016/j.tet.2010.09.019

  日期：2010.11

  of the C–O coupling reaction the CuSAr complex is converted into CuBr(PhSAr) via selective coupling of the monoanionic arenethiolato ligand with phenyl bromide with formation of CuBr. In addition, the first results are shown involving a multi-component reaction (MCR) protocol for the in situ synthesis of propargylamines and their subsequent conversion involving a C–O cross coupling reaction. Furthermore

  在苯酚与芳基溴化物的芳基化反应中，将2-氨基芳硫基-铜（I）（I）（CuSAr）配合物的小型文库作为（预）催化剂进行了测试。这些（I）铜（预）催化剂具有热稳定性，可溶于常见的有机溶剂中，并允许在160°C下反应6小时，催化剂负载量低至2.5 mol％。在所筛选的（预）催化剂中，2-[（（二甲基氨基）甲基]苯硫基巯基铜（I）（1c）产生了最佳结果，并提供了各种取代的二芳基醚的良好至优异的收率。机理研究表明，在C-O偶联反应的早期阶段，CuSAr配合物通过单阴离子槟榔根配体与苯基溴的选择性偶联而形成CuBr，转化为CuBr（PhSAr）。此外，显示的第一个结果涉及用于炔丙基胺原位合成的多组分反应（MCR）方案及其后续的涉及C–O交叉偶联反应的转化。此外，在相同的二卤代吡啶底物上，用相同的（CuSAr）一锅法进行了连续C–O / C–S和C–N / C–S交叉偶联反应的两个例子。 ）催化剂（总收率40-80％）。
• NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF
  申请人：ROTH Gerald Juergen

  公开号：US20120157425A1

  公开（公告）日：2012-06-21

  The invention relates to new piperidine derivatives of the formula I to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  该发明涉及新的哌啶衍生物，其化学式I，用作药物，用于治疗的方法以及含有它们的药物组合物。
• [EN] PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF<br/>[FR] DÉRIVÉS DE PYRROLIDINE, LEURS COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014184104A1

  公开（公告）日：2014-11-20

  The invention relates to new pyrrolidine derivatives of the formula (I), wherein R1 to R5, Ar1, Ar2 and n are as defined in the description and claims, to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  该发明涉及公式（I）的新吡咯烷衍生物，其中R1至R5，Ar1，Ar2和n如描述和索赔中所定义，以及它们作为药物的用途，用于它们的治疗使用的方法以及含有它们的药物组合物。