叔丁基二甲胺 | 918-02-5

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 叔丁基二甲胺
• 中文别名: N,N-二甲基叔丁胺；叔丁基二甲基胺
• 英文名称: N,N-dimethyl-tert-butylamine
• 英文别名: tert-butyl-di-methylamine；tert-butoxy-bis(dimethylamino)methane；N,N-dimethyl-t-butylamine；tert-butyl(dimethyl)amine；tert-butyldimethylamine；dimethyl-tert-butylamine；2-Propanamine, N,N,2-trimethyl-；N,N,2-trimethylpropan-2-amine
• CAS: 918-02-5
• 化学式: C₆H₁₅N
• mdl: MFCD03452796
• 分子量: 101.192
• InChiKey: OXQMIXBVXHWDPX-UHFFFAOYSA-N

物化性质

• 熔点：
  -90 °C
• 沸点：
  89.6-89.9 °C (740 mmHg)
• 密度：
  0.739
• 闪点：
  -5 °C
• 保留指数：
  693
• 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)：
  1.2
• 重原子数：
  7
• 可旋转键数：
  1
• 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

• 危险等级：
  CORROSIVE
• 安全说明：
  S16,S26,S36/37/39,S45
• 危险品标志：
  C
• 危险类别码：
  R34
• 储存条件：
  密封贮藏，存放在阴凉、干燥处，远离热源、火源和火焰，避免靠近易燃易爆炸区域。

SDS

Name:	tert-Butyldimethylamine 98% Material Safety Data Sheet
Synonym:	N,N-Dimethyl-tert-butylamin
CAS:	918-02-5

Section 1 - Chemical Product MSDS Name:tert-Butyldimethylamine 98% Material Safety Data Sheet
Synonym:N,N-Dimethyl-tert-butylamin

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
918-02-5	tert-Butyldimethylamine	98%	unlisted

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:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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:
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. Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire. Flammable liquid and vapor.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. Water may be ineffective.

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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:
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:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. 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:
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# 918-02-5: Personal Protective Equipment Eyes: Not available.
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: Clear liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 89.6 - 89.9 deg C @740mmHg
Freezing/Melting Point: -90 deg C
Autoignition Temperature: Not available.
Flash Point: -5 deg C ( 23.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 0.739
Molecular Formula: C6H15N
Molecular Weight: 101.19

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 918-02-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyldimethylamine - 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 (8)
UN Number: 2733
Packing Group: II
RID/ADR
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.
Hazard Class: 3 (8)
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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
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# 918-02-5: No information available.
Canada
CAS# 918-02-5 is listed on Canada's NDSL List.
CAS# 918-02-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 918-02-5 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：

  叔丁基二甲胺 在 过氧碳酸钠 、 sodium salt of 2,4-dichloro-6-hydroxy-1,3,5-triazine aluminum oxide 、 silica gel 、 potassium carbonate 作用下， 以 氯仿 为溶剂， 以93%的产率得到N,2-二甲基丙烷-2-胺
  参考文献：
  名称：

  在便利的柱色谱样设置中，使用固体试剂对叔胺进行一般的，选择性的，高产率的N-脱甲基步骤。

  摘要：

  [反应：请参见文本]传统的制备型色谱柱可用于实现叔N-甲基胺和生物碱的定量N-去甲基化。填充物是至关重要的部分，在三个反应区中装有不同的固体试剂。将母体化合物装到色谱柱上，几分钟后，纯净的N-脱甲基仲胺离开色谱柱。

  DOI：

  10.1021/ol036319g
• 作为产物：
  描述：

  N-甲基-叔丁基胺 、 二氧化碳 在 二苯基硅烷 、 C₂₁H₄₁N₃NiP₂ 作用下， 以 乙腈 为溶剂， 120.0 ℃ 、273.6 kPa 条件下， 反应 24.0h， 以85%的产率得到叔丁基二甲胺
  参考文献：
  名称：

  脱芳构的PN 3 P *-氢化镍夹钳复合物对CO 2还原的不同催化活性†

  摘要：

  使用氧化加成法制备了脱芳香化的PN 3 P *-氢化镍配合物。首次实现了镍催化的CO 2加氢硅烷化为甲醇，其转化率空前。此类PN 3 P *-氢化镍氢化物证明了胺与CO 2的选择性甲基化和甲酰化，突出了其在CO 2还原中的多功能性。

  DOI：

  10.1039/c8cc05948a
• 作为试剂：
  描述：

  N,N-二甲基苄胺 、 硫代氯甲酸苯酯 在 叔丁基二甲胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以33%的产率得到氯化苄
  参考文献：
  名称：

  Phenyl Chloro(thionoformate): a New Dealkylating Agent of Tertiary Amines

  摘要：

  苯基氯代(硫代甲酸酯)在20°下与无障碍的三级脂肪胺迅速反应，生成硫代氨酸酯和烷基氯化物。二烷基环己胺出奇地迅速反应，主要生成环己烯。硫代氨酸酯经过甲基硫酸二甲酯处理后，再用水水解转化为二级胺盐。在氨基中，反应速率和烷基团裂解选择性被发现优于或与以前报道的氯代甲酸酯相媲美。

  DOI：

  10.1071/ch98147

文献信息

• HETEROBICYCLIC COMPOUNDS
  申请人：Amgen Inc.

  公开号：US20130225552A1

  公开（公告）日：2013-08-29

  Heterobicyclic compounds of Formula (I): or a pharmaceutically-acceptable salt, tautomer, or stereoisomer thereof, as defined in the specification, and compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, Huntington's Disease, and the like.

  Formula (I)的杂环化合物： 或其药用可接受的盐、互变异构体或立体异构体，如规范中所定义，并含有它们的组合物，以及制备这种化合物的方法。本文还提供了通过抑制PDE10来治疗由此可治疗的疾病或疾病的方法，如肥胖症、非胰岛素依赖型糖尿病、精神分裂症、躁郁症、强迫症、亨廷顿病等。
• Novel Thiazole Inhibitors of Fructose 1,6-Bishosphatase
  申请人：Dang Qun

  公开号：US20070225259A1

  公开（公告）日：2007-09-27

  Compounds of Formula I, their prodrugs and salts, their preparation and their uses are described.

  公式I的化合物，它们的前药和盐，它们的制备以及它们的用途被描述了。
• [EN] IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION<br/>[FR] DÉRIVÉS D'IMIDAZOTHIADIAZOLE ET D'IMIDAZOPYRAZINE UTILISÉS COMME INHIBITEURS DU RÉCEPTEUR 4 ACTIVÉ PAR UNE PROTÉASE (PAR4) POUR LE TRAITEMENT DE L'AGRÉGATION PLAQUETTAIRE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013163279A1

  公开（公告）日：2013-10-31

  The present invention provides thiazole compounds of Formula I wherein W, Y, R0, R2, R4, R5, R6, R7, X1, X2, X3 and X4 are as defined herein, or a stereoisomer, tautomer, pharmaceutically acceptable salt, prodrug ester or solvate form thereof, wherein all of the variables are as defined herein. These compounds are inhibitors of platelet aggregation and thus can be used as medicaments for treating or preventing thromboembolic disorders.

  本发明提供了式I的噻唑化合物，其中W、Y、R0、R2、R4、R5、R6、R7、X1、X2、X3和X4如本文所定义，或其立体异构体、互变异构体、药学上可接受的盐、前药酯或溶剂化合物形式，其中所有变量均如本文所定义。这些化合物是血小板聚集抑制剂，因此可用作治疗或预防血栓栓塞性疾病的药物。
• CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Araxes Pharma LLC

  公开号：US20180015087A1

  公开（公告）日：2018-01-18

  Conjugates of a cereblon-binding compound and compounds having modulatory activity against G12C mutant KRAS, HRAS or NRAS G12C proteins are provided. Methods associated with preparation and use of such conjugates, pharmaceutical compositions comprising such conjugates and methods to modulate the activity of G12C mutant KRAS, HRAS or NRAS G12C proteins for treatment of disorders, such as cancer, are also provided.

  提供了与谷氨酰脑结合化合物和具有调节活性对抗G12C突变KRAS、HRAS或NRAS G12C蛋白的化合物的共轭物。还提供了与制备和使用这种共轭物相关的方法，包括含有这种共轭物的药物组合物以及调节G12C突变KRAS、HRAS或NRAS G12C蛋白活性的方法，用于治疗癌症等疾病。
• Reductive methylation of primary and secondary amines and amino acids by aqueous formaldehyde and zinc
  作者：Renato A. da Silva、Idália H.S. Estevam、Lothar W. Bieber

  DOI：10.1016/j.tetlet.2007.08.092

  日期：2007.10

  Amines can be methylated when treated with formaldehyde and zinc in aqueous medium. Selective mono- or dimethylation can be achieved by proper choice of pH, stoichiometry and reaction time. This method can also be applied for amino acids.

  在水性介质中用甲醛和锌处理时，胺可被甲基化。选择性单或二甲基化可以通过pH值，化学计量和反应时间的适当选择来实现。该方法也可以用于氨基酸。

表征谱图