BETA-二甲氨基异丁酸甲酯 | 10205-34-2

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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: BETA-二甲氨基异丁酸甲酯
• 中文别名: 3-二甲基氨基-2-甲基丙酸甲酯；β-二甲氨基异丁酸甲酯
• 英文名称: methyl 3-dimethylamino-isobutyrate
• 英文别名: methyl β-(dimethylamino)isobutyrate；β-Dimethylamino-isobuttersaeure-methylester；2-Methyl-3-dimethylaminopropionsaeuremethylester；3-Dimethylamino-2-methylpropionsaeuremethylester；β-dimethylamino-isobutyric acid methyl ester；Dimethylamino-3 methyl-2 propionsaeuremethylester；methyl 3-(dimethylamino)-2-methylpropionate；Methyl-2-methyl-3-(dimethylamino)propionat；Methyl-3-dimethylamino-2-methyl-propionat；Methyl 3-(dimethylamino)-2-methylpropanoate
• CAS: 10205-34-2
• 化学式: C₇H₁₅NO₂
• mdl: MFCD00044842
• 分子量: 145.202
• InChiKey: DDLJXUCYCFDNCA-UHFFFAOYSA-N

物化性质

• 沸点：
  152-154°C
• 密度：
  0.935±0.06 g/cm3(Predicted)
• 闪点：
  152-154°C
• 稳定性/保质期：
  遵照规格使用和储存则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S24/25
• 海关编码：
  2922499990
• 储存条件：
  密封于阴凉干燥处。

SDS

Name:	Methyl beta-dimethylaminoisobutyrate 99% Material Safety Data Sheet
Synonym:	None Known
CAS:	10205-34-2

Section 1 - Chemical Product MSDS Name:Methyl beta-dimethylaminoisobutyrate 99% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
10205-34-2	Methyl beta-dimethylaminoisobutyrate	99%	233-505-1

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:
Treat symptomatically and supportively.

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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 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. 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.

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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# 10205-34-2: 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:
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: colorless
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 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: C7H15NO2
Molecular Weight: 145.20

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials.
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# 10205-34-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl beta-dimethylaminoisobutyrate - 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.
WGK (Water Danger/Protection)
CAS# 10205-34-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 10205-34-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 10205-34-2 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：

  BETA-二甲氨基异丁酸甲酯 在 碳酸氢钠 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 42.0h， 生成 甲基丙烯酸甲酯
  参考文献：
  名称：

  .beta.-Amino ester enolate as an acrylate anion equivalent for the synthesis of .alpha.-methylene esters, acids, and lactones

  摘要：

  DOI：

  10.1021/jo00335a043
• 作为产物：
  描述：

  3-(二甲氨基)丙酸甲酯 、 碘甲烷 在 lithium diisopropyl amide 作用下， 生成 BETA-二甲氨基异丁酸甲酯
  参考文献：
  名称：

  .beta.-Amino ester enolate as an acrylate anion equivalent for the synthesis of .alpha.-methylene esters, acids, and lactones

  摘要：

  DOI：

  10.1021/jo00335a043

文献信息

• The ring opening of 3,4-dichloro-1,2,5-thiadiazole with metal amides. A new synthesis of 3,4-disubstituted-1,2,5-thiadiazoles
  作者：Alain Merschaert、Pascal Boquel、Hugo Gorissen、Jean-Pierre Van Hoeck、Alfio Borghese、Luc Antoine、Vincent Mancuso、Anne Mockel、Michel Vanmarsenille

  DOI：10.1016/j.tetlet.2006.09.102

  日期：2006.11

  We have developed a new synthesis of 3,4-disubstituted-1,2,5-thiadiazoles. The methodology is based on the ring opening of readily available 3,4-dichloro-1,2,5-thiadiazole with metal amides to afford a stable synthon, which is then transformed into the 3,4-disubstituted-1,2,5-thiadiazole derivatives via two consecutive reactions with O-, S-, N- or C-nucleophiles.

  我们开发了3,4-二取代-1,2,5-噻二唑的新合成方法。该方法基于容易获得的3,4-二氯-1,2,5-噻二唑与金属酰胺的开环以提供稳定的合成子，然后将其转化为3,4-二取代的1,2,5 -噻二唑衍生物通过与O-，S-，N-或C-亲核试剂的两个连续反应而形成。
• Regioselective Control of the S_NAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles
  作者：Mijoon Lee、Tomas Rucil、Dusan Hesek、Allen G. Oliver、Jed F. Fisher、Shahriar Mobashery

  DOI：10.1021/acs.joc.5b01044

  日期：2015.8.7

  The SNAr reaction of 2,4-dichloropyrimidines, further substituted with an electron-withdrawing substituent at C-5, has selectivity for substitution at C-4. Here we report that tertiary amine nucleophiles show excellent C-2 selectivity. In situ N-dealkylation of an intermediate gives the product that formally corresponds to the reaction of a secondary amine nucleophile at C-2. This reaction is practical

  在C-5处进一步被吸电子取代基取代的2，4-二氯嘧啶的S N Ar反应具有在C-4处取代的选择性。在这里，我们报告叔胺亲核试剂显示出色的C-2选择性。中间体的原位N-去烷基化得到的产物形式上对应于仲胺亲核体在C-2处的反应。该反应是实用的（在简单的反应条件下快速，对叔胺结构具有良好的通用性，并且具有中等至优异的产率），并且显着扩大了嘧啶结构的获得。
• HYDROFLUOROETHER OLEFINS AND METHODS OF USING SAME
  申请人：3M INNOVATIVE PROPERTIES COMPANY

  公开号：US20170198186A1

  公开（公告）日：2017-07-13

  A hydrofluoroether compound represented by the following general formula (I).

  由以下一般式（I）表示的氢氟醚化合物。
• The electrochemical fluorination of N-containing carboxylic acids (Part 4). Fluorination of methyl 3-dialkylamino-isobutyrates and methyl 3-dialkylamino-n-butyrates
  作者：Takashi Abe、Haruhiko Fukaya、Eiji Hayashi、Yoshio Hayakawa、Masakazu Nishida、Hajime Baba

  DOI：10.1016/0022-1139(93)03019-i

  日期：1994.2

  Several methyl esters of 3-dialkylamino-substituted n- and isobutyric acids have been subjected to electrochemical fluorination to give the corresponding perfluoroacid fluorides. Dimethyl, diethyl, pyrrolidino, morpholino, piperidino and N-methylpiperazino groups were investigated as dialkylamino substituents. The structure/yield relationship was evaluated both in terms of the structure of the acid and

  3-二烷基氨基取代的正丁酸和异丁酸的几种甲酯已经进行了电化学氟化反应，得到了相应的全氟代氟化物。研究了作为二烷基氨基取代基的二甲基，二乙基，吡咯烷基，吗啉代，哌啶子基和N-甲基哌嗪子基团。分别根据酸的结构和氨基的种类评价了结构/产率关系。由具有异丁酸骨架的甲酯比具有正丁酸基团的甲酯得到的全氟氟化物的收率更高，并且由具有环状氨基的酸得到的无氟氟化物的收率更高。
• Synthesis and Properties of Some Hypotensive N-Alkylaminopropionic Esters and N,N-Dialkylaminopropionic Esters and Their Hydroxamic Acids
  作者：R.T. Coutts、J.W. Hubbard、Kamal K. Midha、K. Prasad

  DOI：10.1002/jps.2600600103

  日期：1971.1

  selected 3-(N-alkylamino)- and 3-(N,N-dialkylamino)propionic esters and hydroxamic acids, as well as some related compounds, are reported. The esters were prepared by the interaction of methyl acrylate or methyl methacrylate and an appropriate amine. In certain cases, amides were by-products of this reaction, and some hindered amines did not react with the acrylate. Some esters hydrolyzed to the corresponding

  报道了选择的3-（N-烷基氨基）-和3-（N，N-二烷基氨基）丙酸酯和异羟肟酸以及一些相关化合物的合成。通过丙烯酸甲酯或甲基丙烯酸甲酯与适当的胺的相互作用制备酯。在某些情况下，酰胺是该反应的副产物，某些受阻胺不会与丙烯酸酯反应。一些酯即使储存很短时间也会水解成相应的羧酸。在羟胺的作用下，由氨基酯制备异羟肟酸。红外，质子磁共振（PMR）和质谱用于表征这些酯，羧酸和异羟肟酸。初步研究了酯，羧酸和异羟肟酸对麻醉猫血压的影响。