(6-苯氧基吡啶-3-基)甲醇 | 101990-68-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (6-苯氧基吡啶-3-基)甲醇
• 英文名称: (6-phenoxy-pyridin-3-yl)-methanol
• 英文别名: (6-phenoxypyridin-3-yl)methanol
• CAS: 101990-68-5
• 化学式: C₁₂H₁₁NO₂
• mdl: MFCD02682069
• 分子量: 201.225
• InChiKey: ZAKRVFYNLKKPOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  42.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R43
• 海关编码：
  2933399090
• 安全说明：
  S24/25

SDS

Name:	(6-Phenoxy-3-pyridinyl)methanol 97% Material Safety Data Sheet
Synonym:
CAS:	101990-68-5

Section 1 - Chemical Product MSDS Name:(6-Phenoxy-3-pyridinyl)methanol 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
101990-68-5	(6-Phenoxy-3-pyridinyl)methanol	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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. 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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 101990-68-5: 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: Liquid
Color: pale yellow
Odor: sweetish 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: C12H11NO2
Molecular Weight: 201.22

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 101990-68-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(6-Phenoxy-3-pyridinyl)methanol - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 101990-68-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 101990-68-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 101990-68-5 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：

  (6-苯氧基吡啶-3-基)甲醇 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 5-chloromethyl-2-phenoxy-pyridine
  参考文献：
  名称：

  含芳氧基吡啶部分的新型嘧啶胺衍生物的设计，合成及结构-活性关系

  摘要：

  由于嘧啶胺的独特作用方式，新颖的化学结构和缺乏报道的抗药性，因此是发现农用化学先导化合物的理想模板。为了开发对黄瓜霜霉病（CDM）有效的新型嘧啶胺杀菌剂，通过使用最近报道的中间体衍生化方法（IDM）设计并合成了一系列含有芳氧基吡啶部分的新型嘧啶胺衍生物。所有化合物的结构均通过1 H NMR，元素分析，HRMS和X射线衍射鉴定。生物测定表明，某些标题化合物对CDM表现出优异的杀真菌活性。化合物9的活性最高（EC 50= 0.19 mg / L），明显优于市售杀菌剂diflumetorim，flumorph和cyazofamid。探索了合成的嘧啶胺的结构与杀菌活性之间的关系。研究表明，化合物9是有希望的杀真菌剂，可用于进一步开发。

  DOI：

  10.1021/acs.jafc.6b05580
• 作为产物：
  描述：

  6-苯氧基烟酸甲酯 在 sodium hydroxide 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 6.0h， 生成 (6-苯氧基吡啶-3-基)甲醇
  参考文献：
  名称：

  含芳氧基吡啶部分的新型嘧啶胺衍生物的设计，合成及结构-活性关系

  摘要：

  由于嘧啶胺的独特作用方式，新颖的化学结构和缺乏报道的抗药性，因此是发现农用化学先导化合物的理想模板。为了开发对黄瓜霜霉病（CDM）有效的新型嘧啶胺杀菌剂，通过使用最近报道的中间体衍生化方法（IDM）设计并合成了一系列含有芳氧基吡啶部分的新型嘧啶胺衍生物。所有化合物的结构均通过1 H NMR，元素分析，HRMS和X射线衍射鉴定。生物测定表明，某些标题化合物对CDM表现出优异的杀真菌活性。化合物9的活性最高（EC 50= 0.19 mg / L），明显优于市售杀菌剂diflumetorim，flumorph和cyazofamid。探索了合成的嘧啶胺的结构与杀菌活性之间的关系。研究表明，化合物9是有希望的杀真菌剂，可用于进一步开发。

  DOI：

  10.1021/acs.jafc.6b05580

文献信息

• PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME
  申请人：Tanaka Keigo

  公开号：US20090082403A1

  公开（公告）日：2009-03-26

  Anti-fungal agent having excellent anti-fungal action physicochemical properties including safety and water solubility. Compound represented by formula (I), or salt thereof: wherein R 1 represents hydrogen, halogen, amino, R 11 —NH— wherein R 11 represents C 1-6 alkyl, hydroxy C 1-6 alkyl, C 1-6 alkoxy C 1-6 alkyl, or C 1-6 alkoxycarbonyl C 1-6 alkyl, R 12 —(CO)—NH— wherein R 12 represents C 1-6 alkyl group or C 1-6 alkoxy C 1-6 alkyl, C 1-6 alkyl, hydroxy C 1-6 alkyl, cyano C 1-6 alkyl, C 1-6 alkoxy, or C 1-6 alkoxy C 1-6 alkyl or a phosphonoamino group; R 2 represents hydrogen, C 1-6 alkyl, amino, or a di C 1-6 alkylamino group or a phosphonoamino group; one of X and Y is nitrogen while the other is nitrogen or oxygen; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom or 1 or 2 C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, oxygen, sulfur, —CH 2 O—, —OCH 2 —, —NH—, —CH 2 NH—, —NHCH 2 —, —CH 2 S—, or —SCH 2 —; R 3 represents hydrogen or halogen or C 1-6 alkyl, C 3-8 cycloalkyl, C 6-10 aryl, a 5- or 6-member heteroaryl group or a 5- or 6-member nonaromatic heterocyclic group which may have 1 or 2 substituents; and R 4 represents hydrogen or halogen; provided that either R 1 or R 2 represents a phosphonoamino group.

  抗真菌剂具有优异的抗真菌作用物理化学性质，包括安全性和水溶性。化合物由式（I）表示，或其盐： 其中R1代表氢，卤素，氨基，R11—NH—其中R11代表C1-6烷基，羟基C1-6烷基，C1-6烷氧基C1-6烷基，或C1-6烷氧羰基C1-6烷基，R12—（CO）—NH—其中R12代表C1-6烷基或C1-6烷氧基C1-6烷基，C1-6烷基，羟基C1-6烷基，氰基C1-6烷基，C1-6烷氧基，或C1-6烷氧基C1-6烷基或磷酰氨基团；R2代表氢，C1-6烷基，氨基，或二C1-6烷基氨基团或磷酰氨基团；X和Y中的一个是氮，另一个是氮或氧；环A代表5-或6-成员杂芳基环或可能具有卤素原子或1或2个C1-6烷基基团的苯环；Z代表单键，亚甲基基团，乙烯基团，氧，硫，—CH2O—，—OCH2—，—NH—，—CH2NH—，—NHCH2—，—CH2S—，或—SCH2—；R3代表氢或卤素或C1-6烷基，C3-8环烷基，C6-10芳基，5-或6-成员杂芳基团或可能具有1或2个取代基的5-或6-成员非芳香杂环基；和R4代表氢或卤素；前提是R1或R2中的一个代表磷酰氨基团。
• Heterocycles substituted pyridine derivatives and antifungal agent containing thereof
  申请人：Tanaka Keigo

  公开号：US20070105904A1

  公开（公告）日：2007-05-10

  An object of the present invention is to provide an antifungal agent which has excellent antifungal effects and is superior in terms of its physical properties, safety and metabolic stability. According to the present invention, there is disclosed a compound represented by the following formula (I), or a salt thereof: wherein R 1 represents a hydrogen atom, a halogen atom, an amino group, a C 1-6 alkyl group, a C 1-6 alkoxy group or a C 1-6 alkoxy C 1-6 alkyl group; R 2 represents a hydrogen atom, a C 1-6 alkyl group, an amino group or a di C 1-6 alkylamino group; one of X and Y is a nitrogen atom while the other is a nitrogen atom or an oxygen atom; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom, or 1 or 2 C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, an oxygen atom, a sulfur atom, —CH 2 O—, —OCH 2 —, —NH—, —CH 2 NH—, —NHCH 2 —, —CH 2 S—, or —SCH 2 —; R 3 represents a hydrogen atom, a halogen atom, a C 1-6 alkyl group, a C 3-8 cycloalkyl group, a C 6-10 aryl group, a 5- or 6-member heteroaryl group, or 5- or 6-member non-aromatic heterocyclic group which may have 1 or 2 substituents; and R 4 represents a hydrogen atom or a halogen atom.

  本发明的一个目的是提供一种具有优异的抗真菌效果并在其物理性质、安全性和代谢稳定性方面优越的抗真菌剂。根据本发明，公开了以下式(I)所代表的化合物或其盐： 其中R1代表氢原子、卤素原子、氨基、C1-6烷基、C1-6烷氧基或C1-6烷氧基C1-6烷基；R2代表氢原子、C1-6烷基、氨基或二C1-6烷基氨基中的一个；X和Y中的一个是氮原子，另一个是氮原子或氧原子；环A代表一个5-或6-成员杂芳基环或可能具有卤素原子、1个或2个C1-6烷基的苯环；Z代表一个单键、一个亚甲基基、一个乙烯基、一个氧原子、一个硫原子、-CH2O-、-OCH2-、-NH-、-CH2NH-、-NHCH2-、-CH2S-或-SCH2-；R3代表氢原子、卤素原子、C1-6烷基、C3-8环烷基、C6-10芳基、一个5-或6-成员杂芳基、或可能具有1个或2个取代基的5-或6-成员非芳香杂环基；R4代表氢原子或卤素原子。
• Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase
  申请人：sanofi-aventis

  公开号：EP1939181A1

  公开（公告）日：2008-07-02

  The present invention relates to heteroaryl-substituted carboxamides of the formula I, in which Het, A, X, R1, R2 and R3 have the meanings indicated in the claims, which modulate the transcription of endothelial nitric oxide (NO) synthase and are valuable pharmacologically active compounds. Specifically, the compounds of the formula I upregulate the expression of the enzyme endothelial NO synthase and can be applied in conditions in which an increased expression of said enzyme or an increased NO level or the normalization of a decreased NO level is desired. The invention further relates to processes for the preparation of compounds of the formula I, to pharmaceutical compositions comprising them, and to the use of compounds of the formula I for the manufacture of a medicament for the stimulation of the expression of endothelial NO synthase or for the treatment of various diseases including cardiovascular disorders such as atherosclerosis, thrombosis, coronary artery disease, hypertension and cardiac insufficiency, for example.

  本发明涉及公式I的杂环取代羧酰胺，其中Het、A、X、R1、R2和R3具有索引中指示的含义，这些化合物调节内皮一氧化氮（NO）合酶的转录，并且是有价值的药理活性化合物。具体地，公式I的化合物上调内皮一氧化氮合酶酶的表达，并可应用于需要增加该酶的表达或增加NO水平或正常化降低的NO水平的情况。该发明还涉及公式I化合物的制备方法，包括它们的药物组合物，以及公式I化合物用于制造刺激内皮一氧化氮合酶表达或治疗各种疾病的药物的用途，包括心血管疾病，如动脉粥样硬化、血栓形成、冠状动脉疾病、高血压和心脏功能不全等。
• [EN] LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE LACTAME UTILES EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE L'OREXINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2012063207A1

  公开（公告）日：2012-05-18

  The present invention relates to lactam derivatives of formula (I) wherein Y, R1, R2 and R3 are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as orexin receptor antagonists.

  本发明涉及公式（I）的内酰胺衍生物，其中Y、R1、R2和R3如描述中所述，以及它们的制备方法，其药学上可接受的盐，以及它们作为药物的用途，包括含有一个或多个公式（I）化合物的药物组合物，特别是它们作为促进睡眠的药物受体拮抗剂的用途。
• SUBSTITUTED PYRAZOLE DERIVATIVES
  申请人：ITO Mitsuhiro

  公开号：US20090270359A1

  公开（公告）日：2009-10-29

  The present invention provides a novel pyrazole derivative and an androgen receptor antagonist containing the derivative. The present invention provides a compound represented by the formula (I′) wherein R 1 is a hydrogen atom, a group via a carbon atom, a group via a nitrogen atom, a group via an oxygen atom, or a group via a sulfur atom; R 2 is a phenyl group having cyano (the phenyl group may further have substituent(s) other than cyano); R 3 is a hydrogen atom, a group via a carbon atom, a group via a nitrogen atom, a group via an oxygen atom, or a group via a sulfur atom; R 4 is a cyclic group optionally having substituent(s); and X is methylene optionally having substituent(s), or CO, or a salt thereof.

  本发明提供一种新型吡唑衍生物和含有该衍生物的雄激素受体拮抗剂。本发明提供一种由下式表示的化合物(I′)：其中R1是氢原子、通过碳原子的基团、通过氮原子的基团、通过氧原子的基团或通过硫原子的基团；R2是苯基，带有氰基（苯基可能还有除氰基之外的取代基）；R3是氢原子、通过碳原子的基团、通过氮原子的基团、通过氧原子的基团或通过硫原子的基团；R4是可选地带有取代基的环状基团；X是亚甲基，可选地带有取代基，或CO，或其盐。