21801-79-6 (2-甲基咪唑并吡啶-3-羧酸,2-Methylimidazo[1,2-a]pyridine-3-carboxylic acid)

快速询单

结构式：

2-甲基咪唑并吡啶-3-羧酸MOL文件

CAS号：

21801-79-6

中文名称：

2-甲基咪唑并吡啶-3-羧酸

英文名称：

2-Methylimidazo[1,2-a]pyridine-3-carboxylic acid

分子式：

C₉H₈N₂O₂

分子量：

176.172021865845

2-甲基咪唑并吡啶-3-羧酸(21801-79-6)名称与标识符

名称

中文别名：

2-甲基咪唑并(1,2-a)吡啶-3-羧酸;2-甲基咪唑并[1,2-a]吡啶-3-甲酸;2-甲基咪唑并[1,2-a]吡啶-3-羧酸;2-甲基咪唑并吡啶-3-羧酸;

英文别名：

2-Methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid;Imidazo[1,2-a]pyridine-3-carboxylicacid, 2-methyl-;Imidazo(1,2-a)pyridine-3-carboxylic acid, 2-methyl-;2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid;Imidazo[1,2-a]pyridine-3-carboxylic acid, 2-methyl-;2-methyl-4-hydroimidazo[1,2-a]pyridine-3-carboxylic acid;NSC156822;2-Methylimidazo[1,2-a]nicotinic acid;PubChem16305;Imidazo[1, 2-methyl-;Oprea1_104068;Oprea1_153721;21801-79-6;DTXSID80176217;CS-0038336;W-206679;EN300-49178;NSC-156822;BRN 0155092;F2199-0132;FT-0613054;MFCD00244615;FBIUGCLQMKPURJ-UHFFFAOYSA-N;SCHEMBL954146;AMY26995;AKOS000301688;NSC 156822;BB 0219881;2-Methylimidazo[1,2-a]pyridine-3-carboxylic acid, AldrichCPR;SY021633;3-Carboxy-2-methylimidazo[1,2-a]pyridine;10D-545;4-25-00-00822 (Beilstein Handbook Reference);BCP21446;AC-28045;STL432200;DB-004715;2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLICACID;AG-996/30948034;

标识符

MDL：

MFCD00244615

InChIKey：

FBIUGCLQMKPURJ-UHFFFAOYSA-N

Inchi：

1S/C9H8N2O2/c1-6-8(9(12)13)11-5-3-2-4-7(11)10-6/h2-5H,1H3,(H,12,13)

SMILES：

OC(C1=C(C)N=C2C=CC=CN12)=O

BRN：

0155092

2-甲基咪唑并吡啶-3-羧酸(21801-79-6)物化性质

实验特性

LogP : 1.34090
PSA : 54.60000
沸点 : 170℃ at 760 mmHg
熔点 : 140 °C

计算特性

精确分子量 : 176.05900
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 176.058577502g/mol
重原子数量 : 13
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） : 2
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 54.6

2-甲基咪唑并吡啶-3-羧酸(21801-79-6)安全信息

2-甲基咪唑并吡啶-3-羧酸(21801-79-6)国际标准相关数据

EINECS：

156822

2-甲基咪唑并吡啶-3-羧酸(21801-79-6)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%

2-甲基咪唑并吡啶-3-羧酸(21801-79-6)推荐厂家更多厂家(17)

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2-甲基咪唑并吡啶-3-羧酸(21801-79-6)合成路线

合成路线：1 步

81438-57-5

_60%

21801-79-6

81438-57-5

反应条件：

1.1 Solvents: Acetonitrile , Water ; overnight, pH 9.5, rt
1.2 Reagents: Ethanol
1.3 Reagents: Molybdenum hexacarbonyl , Cesium hydroxide Catalysts: Palladate(1-), [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC]chloro[2′-(dicyclohexylphos… Solvents: 1-Methoxy-2-propanol , Water ; 15 h, 80 °C

参考文献：

Palladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis

Li, Jian-Yuan; et al, Bioconjugate Chemistry, 2019, 30(8), 2209-2215

2-甲基咪唑并吡啶-3-羧酸(21801-79-6)相关文献

1. Structural modification of zolpidem led to potent antimicrobial activity in imidazo[1,2-a]pyridine/pyrimidine-1,2,3-triazoles
Rajkumar Reddyrajula,Udaya Kumar Dalimba New J. Chem. 2019 43 16281

2-甲基咪唑并吡啶-3-羧酸(21801-79-6) MSDS

基础信息

Name:	2-Methylimidazo[1 2-a]pyridine-3-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS:	21801-79-6

Section 1 - Chemical Product ? MSDS Name:2-Methylimidazo[1 2-a]pyridine-3-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
21801-79-6	2-Methylimidazo[1,2-a]pyridine-3-carbo	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# 21801-79-6: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 177 - 179 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: C9H8N2O2
Molecular Weight: 176.17

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.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 21801-79-6: NJ5495000 LD50/LC50:
Not available.
Carcinogenicity:
2-Methylimidazo[1,2-a]pyridine-3-carboxylic acid - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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# 21801-79-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 21801-79-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 21801-79-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A