86847-71-4 (N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺,N-(3-Formyl-4-pyridinyl)-2,2-dimethylpropanamide)

快速询单

结构式：

N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺MOL文件

CAS号：

86847-71-4

中文名称：

N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺

英文名称：

N-(3-Formyl-4-pyridinyl)-2,2-dimethylpropanamide

安全信息：

分子式：

C₁₁H₁₄N₂O₂

分子量：

206.241062641144

N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺(86847-71-4)名称与标识符

名称

中文别名：

4-[(2,2-二甲基丙酰基)氨基]吡啶-3-甲醛;N-(3-甲酰基-4-吡啶)-2,2-二甲基丙酰胺;N-(3-甲酰基-4-吡啶基)-2,2-二甲基丙酰胺;N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺;

英文别名：

Propanamide,N-(3-formyl-4-pyridinyl)-2,2-dimethyl-;N-(3-Formyl-4-pyridinyl)-2,2-dimethylpropanamide;N-(3-formylpyridin-4-yl)-2,2-dimethylpropanamide;N-(3-Formyl-Pyridin-4-YL)-2,2-Dimethyl-Propionamide;N-(3-Formylpyridin-4-yl)pivalamide;4-[(2,2-Dimethylpropanoyl)amino]nicotinaldehyde;N-(3-Formyl-4-pyridinyl)-2,2-dimethylpropanamide (ACI);EN300-133465;4-[(2,2-Dimethylpropanoyl)amino]pyridine-3-carboxaldehyde;AB13124;AKOS005259022;W12249;ICMXCEJBHWHTBH-UHFFFAOYSA-N;MFCD03086208;N-(3-Formyl-pyridin-4-yl)-2,2-dimethyl-propionamide, AldrichCPR;N-(3-Formyl-4-pyridyl)-2,2-dimethylpropanamide;86847-71-4;N-(3-Formylpyrdn-4-yl)pvalamde;SCHEMBL2513360;BBL101470;Z1509144530;2,2-DIMETHYL-N-(3-FORMYLPYRIDIN-4-YL)PROPANAMIDE;PS-4414;STL555266;DB-004567;CS-0037880;J-523008;DTXSID30381490;

标识符

MDL：

MFCD03086208

InChIKey：

ICMXCEJBHWHTBH-UHFFFAOYSA-N

Inchi：

1S/C11H14N2O2/c1-11(2,3)10(15)13-9-4-5-12-6-8(9)7-14/h4-7H,1-3H3,(H,12,13,15)

SMILES：

O=CC1C(NC(C(C)(C)C)=O)=CC=NC=1

N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺(86847-71-4)物化性质

实验特性

LogP : 1.95170
PSA : 59.06000
沸点 : 406.1±30.0 °C at 760 mmHg
熔点 : 60-63°C
蒸气压 : 0.0±0.9 mmHg at 25°C
闪点 : 199.4±24.6 °C
密度 : 1.2±0.1 g/cm3

计算特性

精确分子量 : 206.10600
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 3
同位素质量 : 206.105527694g/mol
重原子数量 : 15
复杂度 : 246
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） : 1.4
互变异构体数量 : 5
表面电荷 : 0
拓扑分子极性表面积 : 59.1Å²

N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺(86847-71-4)安全信息

符号： GHS07
WGK Germany： 3
安全说明： S26; S36/37/39
风险术语： R36/37/38
危险品标志： Xi
危险品运输编号： NONH for all modes of transport
危害声明：H317-H319
警示性声明：P280-P305+P351+P338
储存条件： storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
危险类别码： 36-43
信号词： Warning
HazardClass： IRRITANT

N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺(86847-71-4)海关数据

海关编码：

2933399090

海关数据：

中国海关编码：

2933399090

概述：

2933399090. 其他结构含非稠合吡啶环的化合物. 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：

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺(86847-71-4)推荐厂家更多厂家(20)

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N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺(86847-71-4)合成路线

合成路线：1 步

70298-89-4

68-12-2

_80%

86847-71-4

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane
1.2 Solvents: Tetrahydrofuran
1.3 Reagents: Hydrochloric acid Solvents: Water
1.4 Reagents: Potassium carbonate

参考文献：

Synthesis of 6,6'-diamino-2,2'-biquinoline and 2,2'-bi-1,6-naphthyridine

Janiak, Christoph; et al, Synthesis, 1999, (6), 959-964

合成路线：1 步

70298-89-4

68-12-2

_75%

86847-71-4

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ; 0.5 h, -78 °C; 4 h, -78 °C
1.2 15 min, -78 °C; -78 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ; 15 min, rt
1.4 Reagents: Potassium carbonate ; neutralized, rt

参考文献：

Solid phase Friedlander annulation: a rapid green synthesis of substituted-1,6-naphthyridines

Ramesh, B.; et al, Indian Journal of Heterocyclic Chemistry, 2010, 20(1), 13-16

N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺(86847-71-4)上下游

4-氨基哌啶-3-甲醇 4-氨基-3-吡啶甲醛三甲基乙酰氯 4-氨基吡啶 N,N-二甲基甲酰胺 2,2-二甲基-N-（4-吡啶基）丙酰胺

N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺(86847-71-4)参考资料

Reaxys RN：

Beilstein：

N187266

PubChem CID：

2779664

N-(3-甲酰-4-吡啶基)-2,2-二甲基丙胺(86847-71-4) MSDS

基础信息

Name:	n-(3-Formyl-4-pyridinyl)-2 2-dimethylpropanamide 97% Material Safety Data Sheet
Synonym:
CAS:	86847-71-4

Section 1 - Chemical Product ? MSDS Name:n-(3-Formyl-4-pyridinyl)-2 2-dimethylpropanamide 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
86847-71-4	N-(3-Formyl-4-pyridinyl)-2,2-dimethylp	97%	unlisted

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

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Air sensitive.
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.
Store under an inert atmosphere.

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# 86847-71-4: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 60 - 63 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: C11H14N2O2
Molecular Weight: 206.24

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 86847-71-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-(3-Formyl-4-pyridinyl)-2,2-dimethylpropanamide - 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# 86847-71-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 86847-71-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 86847-71-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A