6-苯氧基烟酸 - CAS号 51362-38-0

物化性质

熔点：

164 °C
沸点：

391.2±27.0 °C(Predicted)
密度：

1.298±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.2
重原子数：

16
可旋转键数：

3
环数：

2.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

59.4
氢给体数：

1
氢受体数：

4

安全信息

危险品标志：

Xi
安全说明：

S26,S37/39
危险类别码：

R36/37/38
海关编码：

2933399090
危险性防范说明：

P261,P305+P351+P338
危险性描述：

H302,H315,H319,H335
储存条件：

室温且干燥环境下使用。

SDS

SDS：959e6a654fbd879e2dbde9e28f725e58

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Name:	6-Phenoxynicotinic acid 97% Material Safety Data Sheet
Synonym:
CAS:	51362-38-0

Section 1 - Chemical Product MSDS Name:6-Phenoxynicotinic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51362-38-0	6-Phenoxynicotinic acid	97%	unlisted

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

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.

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:
Treat symptomatically and supportively.

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:
Vacuum or sweep up material and place into a suitable disposal 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:
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# 51362-38-0: 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: Solid
Color: white
Odor: odorless - slight odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 164 - 166 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: C12H9NO3
Molecular Weight: 215.21

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 51362-38-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Phenoxynicotinic acid - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 51362-38-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51362-38-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51362-38-0 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

上游原料

中文名称英文名称 CAS号化学式分子量

6-苯氧基-3-吡啶甲腈 5-cyano-2-phenoxypyridine 99902-72-4 C₁₂H₈N₂O 196.208

中文名称	英文名称	CAS号	化学式	分子量
6-苯氧基-3-吡啶甲腈	5-cyano-2-phenoxypyridine	99902-72-4	C₁₂H₈N₂O	196.208

下游产品

中文名称	英文名称	CAS号	化学式	分子量
(6-苯氧基吡啶-3-基)甲醇	(6-phenoxy-pyridin-3-yl)-methanol	101990-68-5	C₁₂H₁₁NO₂	201.225
6-苯氧基烟酰氯	6-phenoxynicotinoyl chloride	51362-51-7	C₁₂H₈ClNO₂	233.654
——	N-methyl-6-phenoxynicotinamide	595576-46-8	C₁₃H₁₂N₂O₂	228.25
——	N,N-dimethyl-6-phenoxynicotinamide	595576-47-9	C₁₄H₁₄N₂O₂	242.277

反应信息

作为反应物：

描述：

6-苯氧基烟酸在氯化亚砜作用下，以二氯甲烷为溶剂，反应 2.0h，生成 6-苯氧基烟酸甲酯

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：

6-苯氧基烟酸甲酯在水、 lithium hydroxide 作用下，以甲醇为溶剂，以312 mg的产率得到6-苯氧基烟酸

参考文献：

名称：

1-substituted 4-arylpiperazine as kappa opioid receptor antagonists

摘要：

提供的化合物由以下公式表示：其中R、Y3、R1、R2、R3、R4、R6、G、R7、E1、E2、A、B、W、X、Y和Z的定义如下。

公开号：

US09512105B2

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文献信息

Piperazine and homopiperazine compounds

申请人：Millennium Pharmaceuticals, Inc.

公开号：US20030153556A1

公开（公告）日：2003-08-14

Compounds are provided having a piperazine or homopiperazine ring which are useful in the treatment of thrombosis.

提供了具有哌嗪或同源哌嗪环的化合物，这些化合物在治疗血栓症方面很有用。
[EN] NOVEL AMINOTETRALINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS<br/>[FR] NOUVEAUX COMPOSES AMINOTETRALINE UTILES POUR SOIGNER LES TROUBLES ASSOCIES AU RECEPTEUR MCH

申请人：7TM PHARMA AS

公开号：WO2003087046A1

公开（公告）日：2003-10-23

Novel compounds of formula (I) which modulate MCH activity are disclosed in which A is a linker; Ar1 is an aryl or heteroaryl group; R1 and R2 are hydrogen, straight or branched alkyl, alkenyl or alkynyl groups, cycloalkyl groups, alkylcycloalkyl groups, alkylaryl groups, alkylheterocyclyl groups, alkylheteroaryl groups and may be linked to each other; R3 is a hydrogen atom, Alk-, Alk-O-, hydroxy or keto group; R4 and R5 are hydrogen, halogen atoms, alkoxy groups, hydroxy, alkylamino groups, dialkylamino groups, hydroxylalkyl groups, carboxamido groups, acylamido groups, acyl groups, -CHO, nitrile, alkyl, alkenyl or alkynyl groups, -CF3, -OCF3, -SCF3; -SCH3, -SO2NH2, -SO2NHAlk, -SO2Nalk2, -SO2Alk; n is 1 or 2; R8 is halogen atoms, alkyl, alkenyl or alkynyl groups, cycloalkyl groups with 3-7 carbons, alkylcycloalkyl groups, alkylaryl groups, alkylheterocyclyl groups, heteroaryloxyl groups, alkylheteroaryl groups, arylalkoxy groups, aryloxy groups, alkoxy groups, dialkylamino groups, -CONHAlk, -CONHAr, -CONAlk2, -NHCO-Alk, -NHCO-Ar, -CO-Alk, -CO-Ar, -SCH3, -CF3, -OCF3, -SCF3; or R8 is R6-Ar2-B-; in which B is a connecting moiety; Ar2 is an aryl or heteroaryl group; R6 is an R5 group; and which are useful in the treatment or prevention of e.g. obesity, depression, diabetes, bulimia etc.

化合物的新结构式（I），其调节MCH活性的方法已被披露，其中A是一个连接物；Ar1是芳基或杂环芳基；R1和R2是氢、直链或支链烷基、烯基或炔基、环烷基、烷基环烷基、烷基芳基、烷基杂环烷基、烷基杂芳基，它们之间可能相互连接；R3是氢原子、烷基、烷氧基、羟基或酮基；R4和R5是氢、卤素原子、烷氧基、羟基、烷基氨基、二烷基氨基、羟基烷基、羧酰胺基、酰胺基、酰基、-CHO、腈基、烷基、烯基或炔基、-CF3、-OCF3、-SCF3、-SCH3、-SO2NH2、-SO2NHAlk、-SO2Nalk2、-SO2Alk；n为1或2；R8是卤素原子、烷基、烯基或炔基、含有3-7个碳的环烷基、烷基环烷基、烷基芳基、烷基杂环烷基、杂芳氧基、烷基杂芳基、芳基烷氧基、芳氧基、烷氧基、二烷基氨基、-CONHAlk、-CONHAr、-CONAlk2、-NHCO-Alk、-NHCO-Ar、-CO-Alk、-CO-Ar、-SCH3、-CF3、-OCF3、-SCF3；或R8是R6-Ar2-B-；其中B是连接基；Ar2是芳基或杂环芳基；R6是一个R5基团；这些化合物在治疗或预防肥胖、抑郁症、糖尿病、暴食症等方面是有用的。
Amidocarboxylic acid derivatives

申请人：Sankyo Company, Limited

公开号：US06528525B1

公开（公告）日：2003-03-04

Amidocarboxylic acid derivatives of the formula: wherein R1 represents a hydrogen atom, etc.; R2 represents an alkylene group; R3 represents a hydrogen atom, etc.; R4 represents a hydrogen atom, etc.; X represents a substituted or unsubstituted aryl group, etc.,; Y represents an oxygen atom, etc.; Z represents an alkylene group, etc.; and W represents an alkyl group, etc.; and pharmacologically acceptable salts thereof and pharmacologically acceptable esters thereof are useful as the active ingredient of pharmaceutical compositions. They may be used to treat specified diseases, including diabetes mellitus, hyperlipemia, arteriosclerosis, hypertension, etc.

公式为：其中R1代表氢原子，等等；R2代表烷基团；R3代表氢原子，等等；R4代表氢原子，等等；X代表取代或未取代的芳基团，等等；Y代表氧原子，等等；Z代表烷基团，等等；W代表烷基团，等等；以及其药理学上可接受的盐和药理学上可接受的酯作为药物组合物的活性成分是有用的。它们可用于治疗特定疾病，包括糖尿病、高脂血症、动脉硬化、高血压等。
[EN] COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR MODULER LA VOIE DE SIGNALISATION WNT

申请人：IRM LLC

公开号：WO2012003189A1

公开（公告）日：2012-01-05

The present invention relates to compositions and methods for modulating the Wnt signaling pathway, using compounds having Formula (1) and (3): wherein A, B, Y and Z all represent rings, and R1, R2, R3 are as defined herein.

本发明涉及用具有Formula（1）和（3）的化合物调节Wnt信号通路的组合物和方法：其中A、B、Y和Z均代表环，R1、R2、R3如本文所定义。
[EN] INDAZOLES<br/>[FR] INDAZOLES

申请人：PFIZER LTD

公开号：WO2013014567A1

公开（公告）日：2013-01-31

The present invention relates to compounds of formula (I) to pharmaceutically acceptable salts therefore and to pharmaceutically acceptable solvates of said compounds and salts, wherein the substituents are defined herein; to compositions containing such compounds; and to the uses of such compounds in the treatment of various diseases, particularly asthma and COPD.

本发明涉及式(I)化合物及其药学上可接受的盐和该化合物及盐的药学上可接受的溶剂，其中取代基在此定义；含有这种化合物的组合物；以及这种化合物在治疗各种疾病，特别是哮喘和慢性阻塞性肺疾病中的用途。

6-苯氧基烟酸 | 51362-38-0

分子结构分类

物化性质

计算性质

安全信息

SDS

上下游信息

反应信息

文献信息

同类化合物

相关结构分类

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