N,N-二异丙基异丁胺 | 6282-98-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N,N-二异丙基异丁胺
• 英文名称: N,N-diisopropylisobutyramide
• 英文别名: 2-methyl-N,N-di(propan-2-yl)propanamide
• CAS: 6282-98-0
• 化学式: C₁₀H₂₁NO
• mdl: MFCD00800590
• 分子量: 171.283
• InChiKey: QBBRHCGHMJKLIR-UHFFFAOYSA-N

物化性质

• 沸点：
  301.29°C (rough estimate)
• 密度：
  0.9419 (rough estimate)
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2924199090
• 储存条件：
  密封保存，应储存在阴凉干燥的仓库中。建议冷藏温度为20°C。

SDS

Name:	N N-Diisopropylisobutyramide Material Safety Data Sheet
Synonym:	N,N-Diisopropyl-2-Methylpropionamide; 2-Methyl-N,N-Bis(1-Methylethyl)propanamide
CAS:	6282-98-0

Section 1 - Chemical Product MSDS Name:N N-Diisopropylisobutyramide Material Safety Data Sheet
Synonym:N,N-Diisopropyl-2-Methylpropionamide; 2-Methyl-N,N-Bis(1-Methylethyl)propanamide

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6282-98-0	N,N-Diisopropylisobutyramide	ca 100	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store at around 20C.

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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# 6282-98-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
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 applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in most organic solvents
Specific Gravity/Density:
Molecular Formula: C10H21NO
Molecular Weight: 171.28

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6282-98-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N,N-Diisopropylisobutyramide - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 6282-98-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6282-98-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6282-98-0 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：

  N,N-二异丙基异丁胺 在 仲丁基锂 、 重水 作用下， 以 四氢呋喃 、 环己烷 为溶剂， 反应 3.0h， 以35%的产率得到N,N-diisopropyl-2-deuterio-2-methylpropanamide
  参考文献：
  名称：

  The synthesis and characterisation of deuteriated amides

  摘要：

  报告了对一系列烯醇类化合物进行区域选择性 C 去氘化的结果，这些烯醇类化合物是通过仲丁基锂与各种取代酰胺的加成反应得到的。根据酰胺的结构性质和所采用的去氘代来源，对反应的结果进行了讨论。Copyright © 2003 John Wiley & Sons, Ltd. All Rights Reserved.

  DOI：

  10.1002/jlcr.737
• 作为产物：
  描述：

  N,N-二异丙基-2-甲基丙烯酰胺 在 hexacarbonyl molybdenum 、 苯硅烷 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以80%的产率得到N,N-二异丙基异丁胺
  参考文献：
  名称：

  Silicon hydrides and molybdenum(0) catalyst: a novel approach for conjugate reduction of .alpha.,.beta.-unsaturated carbonyl compounds

  摘要：

  DOI：

  10.1021/jo00388a042

文献信息

• POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF
  申请人：GLINKA TOMASZ

  公开号：US20080318957A1

  公开（公告）日：2008-12-25

  Disclosed are compounds having polybasic functionalities. The compounds inhibit bacterial efflux pump inhibitors and are used in combination with an anti-bacterial agent to treat or prevent bacterial infections. These combinations can be effective against bacterial infections that have developed resistance to anti-bacterial agents through an efflux pump mechanism.

  揭示了具有多元碱功能的化合物。这些化合物抑制细菌外流泵抑制剂，并与抗菌剂结合使用以治疗或预防细菌感染。这些组合物可以有效对抗通过外流泵机制对抗菌剂产生抗药性的细菌感染。
• Mild and Low-Pressure<i>fac</i>-Ir(ppy)₃-Mediated Radical Aminocarbonylation of Unactivated Alkyl Iodides through Visible-Light Photoredox Catalysis
  作者：Shiao Y. Chow、Marc Y. Stevens、Linda Åkerbladh、Sara Bergman、Luke R. Odell

  DOI：10.1002/chem.201601694

  日期：2016.6.27

  unactivated alkyl iodides employing a fac‐Ir(ppy)3‐catalyzed radical aminocarbonylation protocol has been developed. Using a two‐chambered system, alkyl iodides, fac‐Ir(ppy)3, amines, reductants, and CO gas (released ex situ from Mo(CO)6), were combined and subjected to an initial radical reductive dehalogenation generating alkyl radicals, and a subsequent aminocarbonylation with amines affording a

  已经开发出一种新颖，温和且简便的方法，可以通过未活化的烷基碘使用fac- Ir（ppy）3催化的自由基氨基羰基化方法制备烷基酰胺。使用两腔系统，将烷基碘，fac- Ir（ppy）3，胺，还原剂和CO气体（从Mo（CO）6异位释放）合并，并进行初始自由基还原性脱卤，生成烷基自由基，然后用胺进行氨基羰基化，以中等到极好的收率提供了广泛的烷基酰胺。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• Preparation of glycosyl halides under neutral conditions
  作者：Beat Ernst、Tammo Winkler

  DOI：10.1016/s0040-4039(00)99408-5

  日期：1989.1

  The anomeric hydroxyl group of various furanose and pyranose hemiacetals can be replaced by a fluorine, chlorine, bromine or iodine atom under neutral conditions using haloenamines.

  在卤代胺的中性条件下，各种呋喃糖和吡喃糖半缩醛的异头羟基可以被氟，氯，溴或碘原子取代。
• Pd-catalysed β-selective C(sp³)–H arylation of simple amides
  作者：Hong-Yan Hao、Shao-Jie Lou、Shuang Wang、Kun Zhou、Qiu-Zi Wu、Yang-Jie Mao、Zhen-Yuan Xu、Dan-Qian Xu

  DOI：10.1039/d1cc02261j

  日期：——

  An efficient Pd-catalysed β-C(sp3)–H arylation of diverse native amides with aryl iodides was developed. This protocol overcomes the necessity of the Thorpe–Ingold effect and features broad substrate scope and good functional group tolerance. The potential application of this protocol is collectively demonstrated by gram-scale synthesis and the synthesis of several bioactive molecules.

  开发了一种有效的 Pd 催化的 β-C(sp 3 )-H 芳基化多种天然酰胺与芳基碘化物的芳基化反应。该协议克服了索普-英戈尔德效应的必要性，具有广泛的底物范围和良好的官能团耐受性。该协议的潜在应用由克级合成和几种生物活性分子的合成共同证明。