1,1-二乙基烯丙基胺 | 3234-64-8

• 分子结构分类: 有机化合物 - 乙炔化物
• 中文名称: 1,1-二乙基烯丙基胺
• 中文别名: 1,1-二乙基炔胺
• 英文名称: 1,1-Diethylpropargylamine
• 英文别名: 3-Ethylpent-1-yn-3-amine
• CAS: 3234-64-8
• 化学式: C₇H₁₃N
• mdl: MFCD00008057
• 分子量: 111.187
• InChiKey: WHNOKDNCUNZBLW-UHFFFAOYSA-N

物化性质

• 沸点：
  71-72 °C90 mm Hg(lit.)
• 密度：
  0.828 g/mL at 25 °C(lit.)
• 闪点：
  70 °F

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 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
• 危险品标志：
  F,C
• 安全说明：
  S16,S26,S36/37/39,S45
• 危险类别码：
  R11
• 海关编码：
  2921199090
• 包装等级：
  II
• 危险类别：
  3.1
• 危险品运输编号：
  UN 2733

SDS

Name:	1 1-Diethylpropargylamine 97% Material Safety Data Sheet
Synonym:	None
CAS:	3234-64-8

Section 1 - Chemical Product MSDS Name:1 1-Diethylpropargylamine 97% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3234-64-8	1,1-diethylpropargylamine, 97%	97	221-784-2

Hazard Symbols: F C
Risk Phrases: 11 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Highly flammable. Causes burns.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
Prolonged and/or repeated contact may cause irritation and/or dermatitis. Product tests non-reactive for HBsAg and negative for antibodies to HIV and HCV. However, material should be handled as potentially infectious.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
Prolonged exposure may result in dizziness and general weakness.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes. Flush skin with plenty of soap and water.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid. 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.
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:
For small fires, use water spray, dry chemical, carbon dioxide or chemical foam. Use agent most appropriate to extinguish fire.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. In case of spill, sweep up solid or absorb liquid with inert material, then place into a biohazard container. Wear protective equipment.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with skin and eyes. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. 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. Store in a cool place in the original container and protect from sunlight.
Refrigerator/flammables.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Good general ventilation should be sufficient to control airborne levels. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 3234-64-8: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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 minimize contact with skin. 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. 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: Solid
Color: clear, colorless
Odor: Odorless.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 71.0 - 72.0 deg C @ 90.00mm H
Freezing/Melting Point: 0 deg C
Autoignition Temperature: Not available.
Flash Point: 21 deg C ( 69.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8280g/cm3
Molecular Formula: C7H13N
Molecular Weight: 111.19

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, none reported, strong oxidants.
Incompatibilities with Other Materials:
None reported.
Hazardous Decomposition Products:
None, irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3234-64-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,1-diethylpropargylamine, 97% - 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.
WGK (Water Danger/Protection)
CAS# 3234-64-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3234-64-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3234-64-8 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：

  1,1-二乙基烯丙基胺 在 platinum(IV) oxide copper(I) chloride 、 氢气 、 铜 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 73.0h， 生成 1,1-diethylpropylamine
  参考文献：
  名称：

  Preparation of a series of highly hindered secondary amines, including bis(triethylcarbinyl)amine

  摘要：

  DOI：

  10.1021/jo01311a014
• 作为产物：
  描述：

  3-乙基-1-戊炔-3-醇 在 三氯化铁 copper(I) chloride 、 盐酸 、 氨 、 sodium 、 铜 、 calcium chloride 作用下， 以 乙醚 为溶剂， 反应 1.0h， 生成 1,1-二乙基烯丙基胺
  参考文献：
  名称：

  Preparation of a series of highly hindered secondary amines, including bis(triethylcarbinyl)amine

  摘要：

  DOI：

  10.1021/jo01311a014

文献信息

• Secondary amines
  申请人：Labaz

  公开号：US04201725A1

  公开（公告）日：1980-05-06

  Methylamine derivatives of the formula: ##STR1## and pharmaceutically acceptable acid addition salts thereof, wherein R.sub.1 and R.sub.3 each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 6 carbon atoms, R.sub.2 represents a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 2 to 7 carbon atoms with the proviso that when R.sub.2 represents an alkenyl radical of the formula CH.dbd.CH--R.sub.6 or an alkynyl radical of the formula C.tbd.C--R.sub.6, in which R.sub.6 represents a hydrogen atom or a straight- or branched-chain alkyl radical of 1 to 5 carbon atoms, R.sub.1 and R.sub.3 each represent an atom of hydrogen or an alkyl radical, R.sub.4 and R.sub.5, which are the same or different, each respresent a hydrogen atom, a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 5 carbon atoms or an .omega.-hydroxyalkyl radical containing from 2 to 5 carbon atoms or R.sub.4 and R.sub.5, when they are taken together represent an alkylene radical containing from 2 to 6 carbon atoms, an alkylidene radical containing from 1 to 5 carbon atoms or the radical --CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --, R.sub.1, R.sub.2 and R.sub.3 being such that the trisubstituted methylamine radical possesses no more than 13 carbon atoms. They are useful for treating Parkinson's disease and for correcting extra-pyramidal disturbances provoked by neuroleptics.

  甲基胺衍生物的公式为：##STR1##以及药学上可接受的酸加成盐，其中R.sub.1和R.sub.3各自代表一个氢原子或一个含有1至6个碳原子的直链或支链烷基、烯基或炔基自由基，R.sub.2代表一个含有2至7个碳原子的直链或支链烷基、烯基或炔基自由基，条件是当R.sub.2代表一个公式为CH.dbd.CH--R.sub.6的烯基自由基或一个公式为C.tbd.C--R.sub.6的炔基自由基时，其中R.sub.6代表一个氢原子或一个含有1至5个碳原子的直链或支链烷基自由基，R.sub.1和R.sub.3各自代表一个氢原子或一个烷基自由基，R.sub.4和R.sub.5相同或不同，各自代表一个氢原子，一个含有1至5个碳原子的直链或支链烷基、烯基或炔基自由基，或一个含有2至5个碳原子的ω-羟基烷基自由基，或者R.sub.4和R.sub.5共同代表一个含有2至6个碳原子的亚烷基自由基，一个含有1至5个碳原子的亚烷基自由基或自由基--CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --，R.sub.1、R.sub.2和R.sub.3使得三取代甲基胺自由基最多含有13个碳原子。它们可用于治疗帕金森病，并用于纠正由神经阻滞剂引起的锥体外系扰动。
• Indolinone derivatives as protein kinase/phosphatase inhibitors
  申请人：——

  公开号：US20020052369A1

  公开（公告）日：2002-05-02

  The present invention relates to certain 2-indolinone compounds which modulate the activity of protein kinases (“PKs”) and phosphatases. The compounds of this invention are therefore useful in treating disorders related to abnormal PK activity. Pharmaceutical compositions comprising these compounds, methods of treating diseases utilizing pharmaceutical compositions comprising these compounds and methods of preparing them are also disclosed.

  本发明涉及调节蛋白激酶（“PKs”）和磷酸酶活性的某些2-吲哚酮化合物。因此，本发明的化合物在治疗与异常PK活性相关的疾病方面是有用的。还公开了包含这些化合物的药物组合物、利用包含这些化合物的药物组合物治疗疾病的方法以及制备它们的方法。
• Monoalkylaminomethylation d'organometalliques à l'aide de N-alkyl N-trimethylsilyl alkoxymethylamines
  作者：G. Courtois、L. Miginiac

  DOI：10.1016/0022-328x(88)80069-x

  日期：1988.2

  The simple or functional N-alkyl-N-trimethylsilylalkoxymethylamines are very convenient new reagents for the route to unsymmetrical secondary functional amines from organometallic compounds (M  Al, Mg, Zn) prepared from α-unsaturated halides, functional terminal alkynes or α-bromoesters (or amides).

  简单或功能性的N-烷基-N-三甲基甲硅烷基烷氧基甲基胺是非常方便的新试剂，用于从由α-不饱和卤化物，功能性末端炔烃或α-溴代酯制备的有机金属化合物（MAl，Mg，Zn）制得不对称的仲功能胺（或酰胺）。
• Active derivatives of methylamine in therapeutic compositions and
  申请人：Labaz

  公开号：US04057644A1

  公开（公告）日：1977-11-08

  Methylamine derivatives of the formula: ##STR1## and pharmaceutically acceptable acid addition salts thereof, wherein R.sub.1 and R.sub.3 each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 6 carbon atoms, R.sub.2 represents a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 2 to 7 carbon atoms with the proviso that when R.sub.2 represents an alkenyl radical of the formula CH.dbd.CH--R.sub.6 or an alkynyl radical of the formula C.tbd.C--R.sub.6, in which R.sub.6 represents a hydrogen atom or a straight- or branched-chain alkyl radical of 1 to 5 carbon atoms, R.sub.1 and R.sub.3 each represent an atom of hydrogen or an alkyl radical, R.sub.4 and R.sub.5, which are the same or different, each represent a hydrogen atom, a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 5 carbon atoms or an .omega.-hydroxyalkyl radical containing from 2 to 5 carbon atoms or R.sub.4 and R.sub.5, when they are taken together represent an alkylene radical containing from 2 to 6 carbon atoms, an alkylidene radical containing from 1 to 5 carbon atoms or the radical --CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --, R.sub.1, R.sub.2 and R.sub.3 being such that the trisubstituted methylamine radical possesses no more than 13 carbon atoms. They are useful for treating Parkinson's disease and for correcting extra-pyramidal disturbances provoked by neuroleptics.

  Methylamine derivatives of the formula: ##STR1## and pharmaceutically acceptable acid addition salts thereof, wherein R.sub.1 and R.sub.3 each represent a hydrogen atom or a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 6 carbon atoms, R.sub.2 represents a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 2 to 7 carbon atoms with the proviso that when R.sub.2 represents an alkenyl radical of the formula CH.dbd.CH--R.sub.6 or an alkynyl radical of the formula C.tbd.C--R.sub.6, in which R.sub.6 represents a hydrogen atom or a straight- or branched-chain alkyl radical of 1 to 5 carbon atoms, R.sub.1 and R.sub.3 each represent an atom of hydrogen or an alkyl radical, R.sub.4 and R.sub.5, which are the same or different, each represent a hydrogen atom, a straight- or branched-chain alkyl, alkenyl or alkynyl radical containing from 1 to 5 carbon atoms or an .omega.-hydroxyalkyl radical containing from 2 to 5 carbon atoms or R.sub.4 and R.sub.5, when they are taken together represent an alkylene radical containing from 2 to 6 carbon atoms, an alkylidene radical containing from 1 to 5 carbon atoms or the radical --CH.sub.2 --CH.sub.2 --O--CH.sub.2 --CH.sub.2 --, R.sub.1, R.sub.2 and R.sub.3 being such that the trisubstituted methylamine radical possesses no more than 13 carbon atoms. They are useful for treating Parkinson's disease and for correcting extra-pyramidal disturbances provoked by neuroleptics.
• Stille Reactions Catalytic in Tin:  A “Sn−F” Route for Intermolecular and Intramolecular Couplings
  作者：William P. Gallagher、Robert E. Maleczka

  DOI：10.1021/jo0484169

  日期：2005.2.1

  hypercoordinate by KF(aq) allows Me3SnH to be recycled during a Pd(0)-catalyzed hydrostannation/Stille cascade. Starting with a variety of alkynes, in situ vinyltin formation is followed by Stille reaction with aryl, styryl, benzyl, or vinyl electrophiles present in the reaction mixture. Both inter- and intramolecular versions of the process are possible with tin loads of approximately 6 mol %. Regeneration

  由KF （水溶液）超配位的聚甲基氢硅氧烷（PMHS）使Me 3 SnH在Pd（0）催化的氢化锡锡烷/ Stille级联反应过程中得以回收。从各种炔烃开始，在原位形成乙烯基锡，然后与反应混合物中存在的芳基，苯乙烯基，苄基或乙烯基亲电子试剂进行斯蒂勒反应。该方法的分子间和分子内版本都可能具有约6 mol％的锡负载量。认为有机锡氢化物的再生通过Me 3进行SnF中间体。考虑到有机锡氟化物的聚集性质以及以低于化学计量的量使用这些有机锡的能力，与从反应混合物中去除有机锡废料有关的危害和纯化问题被最小化。

表征谱图