N-甲基二丁炔呋喃 | 3405-45-6

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-甲基二丁炔呋喃
• 中文别名: N,N-二正丁基甲胺；二丁基甲胺；N-甲基二正丁胺；N-甲基二丁胺；甲基二丁基胺
• 英文名称: N-methyldibutylamine
• 英文别名: methyldibutylamine；dibutyl(methyl)amine；N-methyl-di-n-butylamine；N,N-dibutyl-N-methylamine；N-butyl-N-methylbutan-1-amine
• CAS: 3405-45-6
• 化学式: C₉H₂₁N
• mdl: MFCD00009430
• 分子量: 143.272
• InChiKey: MTHFROHDIWGWFD-UHFFFAOYSA-N

物化性质

• 熔点：
  -61.9°C
• 沸点：
  49-51 °C10 mm Hg(lit.)
• 密度：
  0.745 g/mL at 25 °C(lit.)
• 闪点：
  108 °F
• 保留指数：
  948;923.6
• 稳定性/保质期：
  在常温常压下，该物质保持稳定。

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• TSCA：
  T
• 危险等级：
  8
• 危险品标志：
  F,Xi,C
• 危险类别码：
  R10
• 海关编码：
  2921199090
• 包装等级：
  II
• WGK Germany：
  3
• 危险品运输编号：
  UN 2734 8/PG 2
• 储存条件：
  常温、避光、通风干燥处，密封保存。

SDS

Name:	N-Methyldibutylamine 99% Material Safety Data Sheet
Synonym:
CAS:	3405-45-6

Section 1 - Chemical Product MSDS Name:N-Methyldibutylamine 99% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3405-45-6	N-Methyldibutylamine	99%	222-288-9

Hazard Symbols: C
Risk Phrases: 10 22 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Flammable. Harmful if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
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. Flammable liquid and vapor.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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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. Remove all sources of ignition.
Use a spark-proof tool.

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Section 7 - HANDLING and STORAGE
Handling:
Use spark-proof tools and explosion proof equipment. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Flammables-area.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3405-45-6: 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:
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 49 - 51 deg C @ 10.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 42 deg C ( 107.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .7450g/cm3
Molecular Formula: (CH3CH2CH2CH2)2NCH3
Molecular Weight: 143.31

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, ignition sources.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3405-45-6: HR8225000 LD50/LC50:
CAS# 3405-45-6: Oral, rat: LD50 = 540 uL/kg; Skin, rabbit: LD50 = 880 uL/kg.
Carcinogenicity:
N-Methyldibutylamine - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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, LIQUID, CORROSIVE, FLAMMABLE, N.O.S.*
Hazard Class: 8 (3)
UN Number: 2734
Packing Group: II
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S.
Hazard Class: 8 (3)
UN Number: 2734
Packing Group: II
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S.
Hazard Class: 8 (3)
UN Number: 2734
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 10 Flammable.
R 22 Harmful if swallowed.
R 34 Causes burns.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 3405-45-6: No information available.
Canada
CAS# 3405-45-6 is listed on Canada's NDSL List.
CAS# 3405-45-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3405-45-6 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：

  N-甲基二丁炔呋喃 在 氯仿 、 臭氧 作用下， 生成 Methyldibutylamin-N-oxid
  参考文献：
  名称：

  Horner; Nippe, Chemische Berichte, 1958, vol. 91, p. 67,75

  摘要：

  DOI：
• 作为产物：
  描述：

  甲基丁胺 在 钯 作用下， 生成 N-甲基二丁炔呋喃
  参考文献：
  名称：

  Synthesis of unsymmetrical secondary and tertiary amines from amines by palladium catalyst

  摘要：

  DOI：

  10.1021/ja00790a064
• 作为试剂：
  描述：

  对羟基苯甲酸甲酯 在 吡啶 、 邻苯二甲醚 、 palladium(II) hexafluoroacetylacetonate 、 N-甲基二丁炔呋喃 、 1,3-双(二苯基膦)丙烷 、 copper dichloride 作用下， 以 二氯甲烷 为溶剂， 反应 64.0h， 生成 1,4-bis(4-methoxycarbonylphenyl)benzene
  参考文献：
  名称：

  在环状烯烃的Mizoroki-Heck反应中实现乙烯基选择性

  摘要：

  在环烯烃的Heck反应中，产物通常具有芳基，该芳基最终在烯丙基和/或均烯丙基位置。我们在本文中报道了新的选择性，该选择性将芳基添加到乙烯基位置。各种环大小的环烯烃均能很好地发挥作用。所需的异构体是通过氢化钯催化的初始产物异构化反应制得的。因此，必须使用特定的催化剂，以使其可以在一组反应条件下进行两项工作。

  DOI：

  10.1002/chem.201204427

文献信息

• PROCESS FOR PREPARING FORMIC ACID
  申请人：Fachinetti Giuseppe

  公开号：US20130006015A1

  公开（公告）日：2013-01-03

  A process for preparing formic acid by hydrogenation of carbon dioxide in the presence of a tertiary amine (I) and a catalyst at a pressure of from 0.2 to 30 MPa abs and a temperature of from 20 to 200° C., wherein the catalyst is a heterogeneous catalyst comprising gold.

  在三级胺（I）和催化剂的存在下，通过在0.2到30兆帕绝对压力和20到200摄氏度的温度下，将二氧化碳加氢制备甲酸的方法，其中催化剂是包含金的非均相催化剂。
• Preparation of Mono-/Difluorinated Hydrocarbon Compounds
  申请人：Saint-Jalmes Laurent

  公开号：US20090234151A1

  公开（公告）日：2009-09-17

  Mono- or difluorinated hydrocarbon compounds are prepared from an alcohol or a carbonylated compound by reacting one of these with a fluorinating reagent, optionally in the presence of a base, the fluorinating agent comprising a pyridinium reactant having the following formula (F), wherein R 0 is an alkyl or cycloalkyl radical:

  从醇或羰基化合物中制备单氟或二氟烃化合物，通过将其中一种与氟化试剂反应制备，可选地在碱的存在下，氟化剂包括具有以下公式（F）的吡啶反应物，其中R0是烷基或环烷基基团。
• N-Methylation of amines with methanol in a hydrogen free system on a combined Al₂O₃–mordenite catalyst
  作者：Jiahui Su、Xungang Li、Yunbin Chen、Yuancun Cui、Jingwei Xu、Chao Qian、Xinzhi Chen

  DOI：10.1039/c6ra07998a

  日期：——

  N-Methylation of primary or second amines with methanol is a green path for the synthesis of N-methyl amines.

  一级或二级胺与甲醇的N-甲基化是合成N-甲基胺的绿色途径。
• Novel Analogs of Camptothecin
  申请人：FL Therapeutics, LLC

  公开号：US20140135356A1

  公开（公告）日：2014-05-15

  The present invention provides novel conjugates of camptothecin and camptothecin analogs with a linker and an HSA-binding moiety. The novel conjugates are prodrug forms of the camptothecin or camptothecin analogs and can be used to treat mammalian cell proliferative diseases, such as cancer.

  本发明提供了新型累积毒素和累积毒素类似物与连接剂和HSA结合基团的结合物。这些新型结合物是累积毒素或累积毒素类似物的前药形式，可用于治疗哺乳动物细胞增殖性疾病，如癌症。
• Glycerol as a Building Block for Prochiral Aminoketone,<i>N</i>-Formamide, and<i>N</i>-Methyl Amine Synthesis
  作者：Xingchao Dai、Jabor Rabeah、Hangkong Yuan、Angelika Brückner、Xinjiang Cui、Feng Shi

  DOI：10.1002/cssc.201600972

  日期：2016.11.23

  Prochiral aminoketones are key intermediates for the synthesis of optically active amino alcohols, and glycerol is one of the main biomass‐based alcohols available in industry. In this work, glycerol was catalytically activated and purposefully converted with amines to generate highly valuable prochiral aminoketones, as well as N‐formamides and N‐methyl amines, over CuNiAlOx catalyst. The catalyst structure

  前手性氨基酮是光学活性氨基醇合成的关键中间体，甘油是工业上可用的主要基于生物质的醇之一。在这项工作中，甘油在CuNiAlO x催化剂上被催化活化，并有意地与胺转化生成高度有价值的前手性氨基酮，以及N-甲酰胺和N-甲基胺。通过形成纳米Cu-Ni合金颗粒，可以将催化剂结构预期为CuAlO x之上或之中的纳米Ni物种。这个概念可能会提出一种新颖而有价值的甘油利用方法。

表征谱图