16205-44-0 (吡唑并[1,5-a]吡啶-3-甲酸乙酯,Ethyl pyrazolo[1,5-a]pyridine-3-carboxylate)

快速询单

结构式：

吡唑并[1,5-a]吡啶-3-甲酸乙酯MOL文件

CAS号：

16205-44-0

中文名称：

吡唑并[1,5-a]吡啶-3-甲酸乙酯

英文名称：

Ethyl pyrazolo[1,5-a]pyridine-3-carboxylate

分子式：

C₁₀H₁₀N₂O₂

分子量：

190.198602199554

吡唑并[1,5-a]吡啶-3-甲酸乙酯(16205-44-0)名称与标识符

名称

中文别名：

吡唑并[1,5-a]吡啶-3-甲酸乙酯;9,9'-螺二芴;9,9-螺二芴;吡唑并[1,5-α]吡啶-3-甲酸乙酯;吡唑并[1,5-a]吡啶-3-羧酸乙酯;

英文别名：

Ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;ETHYL PYRAZOLO[1,5-A]PYRIDINE-3,4-CARBOXYLATE;ethyl H-pyrazolo[1,5-a]pyridine-3-carboxylate;Pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester;PS-3727;SY060415;AKOS005254487;SDCCGMLS-0066065.P001;Ethylpyrazolo[1,5-a]pyridine-3-carboxylate;16205-44-0;Q27452355;SCHEMBL600704;DTXSID80383686;BDBM50490489;IDHMFSBXNNIWCT-UHFFFAOYSA-N;MFCD06411542;PB29374;FT-0650917;A810331;1QP;AM20050857;CHEMBL2326880;W-205891;Pyrazolo[1,5-a]pyridine-3-carboxylic acid, ethyl ester;CS-D0884;DB-007508;STL554288;BBL100494;

标识符

MDL：

MFCD06411542

InChIKey：

IDHMFSBXNNIWCT-UHFFFAOYSA-N

Inchi：

1S/C10H10N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h3-7H,2H2,1H3

SMILES：

O(CC)C(C1C=NN2C=CC=CC2=1)=O

吡唑并[1,5-a]吡啶-3-甲酸乙酯(16205-44-0)物化性质

实验特性

LogP : 1.51100
PSA : 43.60000
折射率 : 1.5800
沸点 : 134-135 °C/2.3 mmHg
闪点 : 134-135°C/2.3mm
溶解度 : 微溶 (1.8 g/L) (25 ºC),
颜色与性状 : Yellow to Brown Liquid
溶解性 : 未确定
密度 : 1.22±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 190.07400
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 3
同位素质量 : 190.074
重原子数量 : 14
复杂度 : 220
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.3
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 43.6A^2

吡唑并[1,5-a]吡啶-3-甲酸乙酯(16205-44-0)安全信息

安全说明： S23;S26;S36/37/39
危险品标志： Xi
危害声明：H302;H315;H319;H335
警示性声明：P261;P280;P301+P312;P302+P352;P305+P351+P338
储存条件： Room temperature
危险类别码： R22;R36/37/38
信号词： Warning
HazardClass： IRRITANT

吡唑并[1,5-a]吡啶-3-甲酸乙酯(16205-44-0)海关数据

海关编码：

2933990090

海关数据：

中国海关编码：

2933990090

概述：

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

吡唑并[1,5-a]吡啶-3-甲酸乙酯(16205-44-0)推荐厂家更多厂家(29)

公司名称	手机号/电话	联系人	QQ	询单
武汉鑫伟烨化工有限公司	18502781673 18502781673	张经理	359501377	询单
上海甄准生物科技有限公司	13816009161 021-68920155	姜经理13816009161	3001086693	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
杰达维（上海）医药科技发展有限公司	13651849907 021-64340559	石小姐	3004189204	询单

吡唑并[1,5-a]吡啶-3-甲酸乙酯(16205-44-0)合成路线

合成路线：1 步

反应条件：

1.1 Solvents: Xylene ; reflux

参考文献：

Identification of fused bicyclic heterocycles as potent and selective 5-HT2A receptor antagonists for the treatment of insomnia

Xiong, Yifeng; et al, Bioorganic & Medicinal Chemistry Letters, 2012, 22(5), 1870-1873

合成路线：2 步

4515-18-8

16205-44-0

80537-14-0

反应条件：

1.1 Reagents: Trifluoroacetic anhydride
2.1 Solvents: Xylene ; reflux

参考文献：

Identification of fused bicyclic heterocycles as potent and selective 5-HT2A receptor antagonists for the treatment of insomnia

Xiong, Yifeng; et al, Bioorganic & Medicinal Chemistry Letters, 2012, 22(5), 1870-1873

合成路线：3 步

535-75-1

16205-44-0

80537-14-0

反应条件：

1.1 Reagents: Sodium nitrite Solvents: Acetic acid
2.1 Reagents: Trifluoroacetic anhydride
3.1 Solvents: Xylene ; reflux

参考文献：

Identification of fused bicyclic heterocycles as potent and selective 5-HT2A receptor antagonists for the treatment of insomnia

Xiong, Yifeng; et al, Bioorganic & Medicinal Chemistry Letters, 2012, 22(5), 1870-1873

吡唑并[1,5-a]吡啶-3-甲酸乙酯(16205-44-0)上下游

吡唑并[1,5-a]吡啶-3-基甲醇 4-甲氧基吡啶-N-氧化物吡唑并吡啶(1,5,-A)-3-硼酸酯吡唑并[1,5-a]吡啶 4,5,6,7-四氢吡唑并[1,5-a]吡啶-3-甲醛 3-溴吡唑并1,5-A吡啶丙炔酸乙酯 1-氨基碘代吡啶

吡唑并[1,5-a]吡啶-3-甲酸乙酯(16205-44-0) MSDS

基础信息

Name:	Ethyl pyrazolo[1 5-a]pyridine-3-carboxylate Material Safety Data Sheet
Synonym:	None know
CAS:	16205-44-0

Section 1 - Chemical Product ? MSDS Name:Ethyl pyrazolo[1 5-a]pyridine-3-carboxylate Material Safety Data Sheet
Synonym:None know

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
16205-44-0	Ethyl pyrazolo[1,5-a]pyridine-3-carbox	95+%	unlisted

Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

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. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. Avoid runoff into storm sewers and ditches which lead to waterways.

Section 7 - HANDLING and STORAGE
? Handling:
Use with adequate ventilation. 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# 16205-44-0: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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: Yellow
Odor: Not available.
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: C10H10N2O2
Molecular Weight: 190.2

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 16205-44-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl pyrazolo[1,5-a]pyridine-3-carboxylate - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 16205-44-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16205-44-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16205-44-0 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A