3-戊胺,2,4-二甲基- | 4083-57-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-戊胺,2,4-二甲基-
• 中文别名: 2,4-二甲基-3-戊胺；(1-异丙基-2-甲基丙基)胺；3-氨基-2,4-二甲基戊烷；2,4-二甲基戊-3-胺
• 英文名称: 2,4-dimethylpent-3-ylamine
• 英文别名: 2,4-dimethyl-3-pentaneamine；2,4-Dimethylpentan-3-amine
• CAS: 4083-57-2
• 化学式: C₇H₁₇N
• mdl: MFCD00015041
• 分子量: 115.219
• InChiKey: FATQVQVMXNESGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  3.1
• 海关编码：
  2921199090
• 包装等级：
  II
• 危险类别：
  3.1
• 危险品运输编号：
  UN 2924

SDS

Name:	3-Amino-2 4-dimethylpentane 98+% Material Safety Data Sheet
Synonym:	(Diisopropylmethyl)amine; 1-(1-Methylethyl)-2-Methylpropanamine
CAS:	4083-57-2

Section 1 - Chemical Product MSDS Name:3-Amino-2 4-dimethylpentane 98+% Material Safety Data Sheet
Synonym:(Diisopropylmethyl)amine; 1-(1-Methylethyl)-2-Methylpropanamine

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4083-57-2	3-Amino-2,4-dimethylpentane	>98	223-809-2

Hazard Symbols: F C
Risk Phrases: 11 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Highly flammable. Causes burns.Air sensitive.Highly flammable.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause systemic effects.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Will be easily ignited by heat, sparks or flame. Containers may explode if exposed to fire.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. Water may be ineffective. Water may spread fire. If water is the only media available, use in flooding amounts.
For large fires, use water spray, fog or alcohol-resistant foam. Do NOT use straight streams of water. Cool containers with flooding quantities of water until well after fire is out.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition. Provide ventilation. Place under an inert atmosphere.

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Section 7 - HANDLING and STORAGE
Handling:
Use only in a well-ventilated area. Ground and bond containers when transferring material. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame.
Handle under an inert atmosphere. Store protected from air. Discard contaminated shoes. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Do not expose to air.
Store under an inert atmosphere.

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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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 4083-57-2: 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: Liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: 0.8 MPA 20.00 deg C
Boiling Point: 132 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: 390 deg C ( 734.00 deg F)
Flash Point: 20 deg C ( 68.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: +/- 12 G/L (20C)
Specific Gravity/Density: .7760g/cm3
Molecular Formula: C7H17N
Molecular Weight: 115.22

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, exposure to air, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Air, strong acids, strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4083-57-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Amino-2,4-dimethylpentane - 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
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.*
Hazard Class: 3 (8)
UN Number: 2733
Packing Group: II
IMO
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.
Hazard Class: 3.2 (8)
UN Number: 2733
Packing Group: II
RID/ADR
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.
Hazard Class: 3
UN Number: 2733
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F C
Risk Phrases:
R 11 Highly flammable.
R 34 Causes burns.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 23 Do not inhale gas/fumes/vapour/spray.
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 4083-57-2: No information available.
Canada
CAS# 4083-57-2 is listed on Canada's NDSL List.
CAS# 4083-57-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4083-57-2 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-戊胺,2,4-二甲基- 在 咪唑 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 溴 、 二异丙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 32.0h， 生成 11-[2-(3,5-Dimethoxyphenyl)ethynyl]-7,18-bis(2,4-dimethylpentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  调整单海湾炔基-苯基取代的Bi双酰亚胺的电子性质：合成，结构和光物理性质

  摘要：

  通过Sonogashira偶联合成了在单个间隔位置具有多个炔基-苯基取代基的双酰亚胺（PBI）衍生物。NMR光谱研究揭示了二重体的不对称性质。所有的二元组都经历了两个可逆的还原，这表明了它们的结构和电化学刚度。合成的二分体在其最大吸收和急剧的电子振动过程中显示出显着的红移。富含电子的取代基可促进电荷从取代基HOMO高效转移至缺电子的PBI核。带有强供电子乙炔基（二甲基氨基苯基）取代基的PBI表现出最有趣的光谱特征。该PBI的稳态特征显示吸收范围很广，几乎覆盖了整个可见光区域，没有任何发射。还证明了与乙炔基（二甲基氨基苯基）PBI的旋转运动有关的扭曲的分子内电荷转移（TICT）过程。计算研究揭示了各种取代基相对于PBI核的共面性。即使在单功能化之后，PBI芯本身也保持平坦，没有任何明显的变形。这说明，相对于双取代类似物，单官能化在间隔位置上产生了微不足道的空间位阻。尽管有先前关于1,7-二取

  DOI：

  10.1002/chem.201400099
• 作为产物：
  描述：

  2,4-二甲基-3-戊酮 在 ammonium acetate 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 56.0h， 以83.6%的产率得到3-戊胺,2,4-二甲基-
  参考文献：
  名称：

  沸石L通道中染料分子的超分子组织：合成，性质和复合材料。

  摘要：

  将不同的染料顺序插入到沸石L（ZL）的1D通道中会导致超分子夹心结构，并允许形成用于光收集，传输和捕获的复杂天线复合材料。描述了染料分子，主体材料，复合物以及嵌入聚合物基体（包括两色和三色天线系统）中的复合物的合成和特性。ylene二酰亚胺（PDI）染料是一类重要的生色团，对人工天线系统的合成非常感兴趣。它们特别适合加深我们对ZL中结构与运输关系的理解，因为它们的核心紧密地穿过12环通道开口。在不影响它们的电子吸收和荧光光谱的情况下，PDIs两端的取代基可以在很大范围内变化。比较了17种PDI，2种三甲苯和1种四甲苯插入ZL中的插入/插入，并讨论了它们与ZL纳米通道内表面的相互作用。已使用尺寸约为500 nm的ZL晶体，因为它们满足制备用于光收集，传输和捕获的天线复合材料所必须遵守的标准。通过将染料插入ZL通道，可以大大改善染料的光稳定性，因为客人受到了封闭的保护。堵塞通道入口，使客人无法

  DOI：

  10.1002/chem.201504404
• 作为试剂：
  描述：

  5-溴-2-甲基苯胺 在 盐酸 、 silver orthophosphate 、 3-戊胺,2,4-二甲基- 、 Fmoc-L-亮氨酸 、 palladium diacetate 、 sodium nitrite 作用下， 以 水 、 1,2-二氯乙烷 为溶剂， 反应 18.0h， 生成 2-methyl-5-phenyl-8,8a-dihydroindeno[1,2-c]pyrrole-1,3(2H,3aH)-dione
  参考文献：
  名称：

  配体钯催化 [3 + 2] 通过 C(sp3)–H 活化实现芳基碘化物与马来酰亚胺的环化

  摘要：

  钯催化的通过 C-H 活化的分子间 [3 + 2] 成环反应是组装环戊烷的强大而迷人的工具。在此，我们开发了一种钯催化芳基碘化物和马来酰亚胺分子间烯烃中继环化反应的策略，通过 C(sp 3 )–H 活化来构建多环结构。与定向基团分子间马来酰亚胺中继的 [3 + 2] 成环反应相比，该方案因其利用芳基碘化物作为底物而脱颖而出。值得注意的是，单保护氨基酸作为配体在该反应中发挥了至关重要的作用，这在有机卤化物引发的 C-H 活化反应中很少观察到。

  DOI：

  10.1021/acs.orglett.4c02138

文献信息

• [EN] THERMALLY STABLE VOLATILE FILM PRECURSORS<br/>[FR] PRÉCURSEURS DE FILM MINCE VOLATILS ET THERMIQUEMENT STABLES
  申请人：UNIV WAYNE STATE

  公开号：WO2010132871A1

  公开（公告）日：2010-11-18

  A precursor for the deposition of a thin film by atomic layer deposition is provided. The compound has the formula MxLy where M is a metal and L is an amidrazone-derived ligand or an amidate-derived ligand. A process of forming a thin film using the precursors is also provided.

  提供了一种用原子层沉积法沉积薄膜的前体。该化合物的化学式为MxLy，其中M是金属，L是一种来自酰胺脲衍生配体或酰胺酸衍生配体的配体。还提供了一种使用这些前体形成薄膜的过程。
• [EN] HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LE TRAITEMENT D'ÉTATS LIÉS AU STRESS
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2010137738A1

  公开（公告）日：2010-12-02

  The present invention provides a novel heterocyclic compound. A heterocyclic compound represented by general formula (1) wherein, R1 and R2, each independently represent hydrogen; a phenyl lower alkyl group that may have a substituent(s) selected from the group consisting of a lower alkyl group and the like on a benzene ring and/or a lower alkyl group; or a cyclo C3-C8 alkyl lower alkyl group; or the like; R3 represents a lower alkynyl group or the like; R4 represents a phenyl group that may have a substituent(s) selected from the group consisting of a 1,3,4-oxadiazolyl group that may have e.g., halogen or a heterocyclic group selected from pyridyl group and the like; the heterocyclic group may have at least one substituent(s) selected from a lower alkoxy group and the like or a salt thereof.

  本发明提供了一种新颖的杂环化合物。一种由通式（1）表示的杂环化合物，其中，R1和R2分别独立表示氢；苯基较低烷基基团，可能在苯环和/或较低烷基基团上具有从较低烷基基团等组成的取代基；或环C3-C8烷基较低烷基基团；或类似物；R3表示较低炔基基团或类似物；R4表示可能具有从1,3,4-噁二唑基团（例如，卤素）或从吡啶基团等组成的取代基的苯基团；所述杂环基可能具有至少一个从较低烷氧基等选择的取代基或其盐。
• Chemoselective reductive alkylation of ammonia with carbonyl compounds: synthesis of primary and symmetrical secondary amines
  作者：Bruhaspathy Miriyala、Sukanta Bhattacharyya、John S Williamson

  DOI：10.1016/j.tet.2003.12.024

  日期：2004.2

  efficient, general procedure for highly chemoselective reductive mono-alkylation of ammonia with ketones is reported. Treatment of ketones with ammonia in ethanol and titanium(IV) isopropoxide, followed by in situ sodium borohydride reduction, and a straightforward workup afforded primary amines in good to excellent yields. Reductive alkylation of ammonia with aldehydes, on the other hand, afforded the corresponding

  报道了一种高效的通用方法，用于用酮对氨进行高度化学选择性的还原性单烷基化。用乙醇和异丙醇钛（IV）中的氨处理酮，然后原位还原硼氢化钠，并直接进行后处理，得到的伯胺的收率好至极佳。另一方面，氨与醛的还原烷基化选择性地提供了相应的对称仲胺。
• The Mechanism of Alkene Elimination from Protonated Toluenesulphonamides Generated by Electrospray Ionisation
  作者：Amie Saidykhan、Jenessa Ebert、William H.C. Martin、Richard T. Gallagher、Richard D. Bowen

  DOI：10.1255/ejms.1427

  日期：2016.8

  The positive ion electrospray mass spectra of a range of sulphonamides of general structure CH3C6H4SO2NHR1 [R1 = C n H2n+1 (n = 1–7), C n H2n-1 (n = 3, 4), C6H5, C6H5CH2 and C6H5CH(CH3)] and CH3C6H4SO2NR1R2 [R1, R2 = C n H2n+1 (n = 1–8)] are reported and discussed. The protonated sulphonamides derived from saturated primary and secondary aliphatic amines generally fragment to only a limited extent

  一系列一般结构为 CH3C6H4SO2NHR1 [R1 = C n H2n+1 (n = 1–7), C n H2n-1 (n = 3, 4), C6H5, C6H5CH2 和 C6H5CH( CH3)] 和 CH3C6H4SO2NR1R2 [R1, R2 = C n H2n+1 (n = 1–8)] 进行了报道和讨论。除非通过碰撞激发能量，否则衍生自饱和脂肪族伯胺和仲胺的质子化磺酰胺通常仅在有限程度上碎裂。观察到两种一般的断裂：首先，消除烯烃，C n H2n，通过从氮上的 C n H2n+1 烷基之一夺氢获得；其次，裂解形成 CH3C6H4SO2+。通过研究 [M + H – C n H2n]+ 信号强度随氮上烷基取代基结构的变化，以及监测与从质子化的不对称磺酰胺中丢失不同的烯烃，其中两个不同的烷基与氮相连。这种断裂有利于烷基在直接连接到氮的碳原子上的支化，因此表明它涉及一种机制，其中通
• POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US20180297994A1

  公开（公告）日：2018-10-18

  The present application relates to positive allosteric modulators of the muscarinic M2 receptor, especially to novel 7-substituted 1-arylnaphthyridine-3-carboxamides, to processes for preparation thereof, to the use thereof, alone or in combinations, for treatment and/or prevention of diseases, and to the use thereof for production of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of cardiovascular disorders and/or renal disorders.

  本申请涉及肌动蛋白M2受体的阳性变构调节剂，特别是新型的7-取代的1-芳基萘啶-3-羧酰胺，以及其制备方法，单独或组合使用于治疗和/或预防疾病，以及用于生产治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病和/或肾脏疾病。