918-02-5 (叔丁基二甲基胺,N,N-Dimethyl-tert-butylamine)

CAS号:
918-02-5
中文名称:
叔丁基二甲基胺
英文名称:
N,N-Dimethyl-tert-butylamine
分子式:
C6H15N
分子量:
101.190001726151

叔丁基二甲基胺(918-02-5)名称与标识符

名称

中文别名:
叔丁基二甲胺;叔丁基二甲基胺;
英文别名:
2-Propanamine,N,N,2-trimethyl-;N,N-DIMETHYL-TERT-BUTYLAMINE;NULL;TERT-BUTYLDIMETHYLAMINE;1,1,N,N-Tetramethylethanamine;2-Propanamine,N,N,2-trimethyl;Dimethyl-tert-butylamine;n,n,2-trimethyl-2-propanamin;N,N,2-Trimethyl-2-propanamine;N,N-Dimethyl-t-butylamine;t-C4H9N(CH3)2;tert-butoxy-bis(dimethylamino)methane;N,N,1,1-Tetramethyl-ethylamine;Ethylamine, N,N,1,1-tetramethyl- (6CI, 7CI, 8CI);N,N,2-Trimethyl-2-propanamine (ACI);E77722;AKOS005254539;N,N,2-trimethylpropan-2-amine;N,N,2-Trimethyl-2-propanamine #;AS-75496;N,N Dimethyl-tert-butylamine;InChI=1/C6H15N/c1-6(2,3)7(4)5/h1-5H;propane, 2-dimethylamino-2-methyl-;N,N-Dimethyl-tert.-butylamine;dimethyl-t-butyl amine;MFCD03452796;2-Propanamine, N,N,2-trimethyl-;t-butyldimethylamine;tert-butyl-dimethyl-amine;SCHEMBL124148;NS00014236;OXQMIXBVXHWDPX-UHFFFAOYSA-N;J-660059;918-02-5;DTXSID7061277;GEO-00618;Q23995131;

标识符

MDL:
MFCD03452796
InChIKey:
OXQMIXBVXHWDPX-UHFFFAOYSA-N
Inchi:
1S/C6H15N/c1-6(2,3)7(4)5/h1-5H3
SMILES:
N(C(C)(C)C)(C)C

叔丁基二甲基胺(918-02-5)物化性质

实验特性

  • LogP : 1.34650
  • PSA : 3.24000
  • 折射率 : 1.4035
  • 沸点 : 76 ºC
  • 熔点 : 282-283 ºC
  • 蒸气压 : 103.8±0.1 mmHg at 25°C
  • 闪点 : -11 ºC
  • 颜色与性状 : 无色透明液体
  • 溶解性 : 未确定
  • 密度 : 0.750

计算特性

  • 精确分子量 : 101.12000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 1
  • 同位素质量 : 101.12
  • 重原子数量 : 7
  • 复杂度 : 49.7
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 3.2A^2

叔丁基二甲基胺(918-02-5)国际标准相关数据

EINECS:

叔丁基二甲基胺(918-02-5)推荐厂家 更多厂家(30)

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叔丁基二甲基胺(918-02-5)合成路线

合成路线:1 步
反应条件:
参考文献:
Amination of Aliphatic Alcohols and Diols with an Iridium Pincer Catalyst
Andrushko, Natalia; Andrushko, Vasyl; Roose, Peter; Moonen, Kristof; Boerner, Armin, ChemCatChem, 2010, 2(6), 640-643
合成路线:1 步
反应条件:
参考文献:
Water as Co-Hydrogen Donor in Reductive Aminations
Ke, Zhengang; Cui, Xinjiang; Shi, Feng, ACS Sustainable Chemistry & Engineering, 2016, 4(7), 3921-3926
合成路线:1 步
反应条件:
参考文献:
Diverse catalytic reactivity of a dearomatized PN3P*-nickel hydride pincer complex towards CO2 reduction
Li, Huaifeng; Goncalves, Theo P.; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; et al, Chemical Communications (Cambridge, 2018, 54(81), 11395-11398
合成路线:1 步
反应条件:
参考文献:
Scalable direct N-methylation of drug-like amines using 12CO2/13CO2 by simple inorganic base catalysis
Lu, Chunlei; Qiu, Zetian; Zhu, Yiling; Lin, Bo-Lin, Science Bulletin, 2019, 64(11), 723-729
合成路线:1 步
反应条件:
参考文献:
Reductive methylation of primary and secondary amines and amino acids by aqueous formaldehyde and zinc
da Silva, Renato A.; Estevam, Idalia H. S.; Bieber, Lothar W., Tetrahedron Letters, 2007, 48(43), 7680-7682
合成路线:1 步
反应条件:
参考文献:
Synthesis of N-methylated amines from acyl azides using methanol
Chakrabarti, Kaushik; Dutta, Kuheli; Kundu, Sabuj, Organic & Biomolecular Chemistry, 2020, 18(30), 5891-5896
合成路线:1 步
反应条件:
参考文献:
Ruthenium-Catalyzed Methylation of Amines with Paraformaldehyde in Water under Mild Conditions
van der Waals, Dominic; Heim, Leo. E.; Gedig, Christian; Herbrik, Fabian; Vallazza, Simona; et al, ChemSusChem, 2016, 9(17), 2343-2347
合成路线:1 步
反应条件:
参考文献:
Amination of aliphatic alcohols catalyzed by CuO-NiO/γ-Al2O3
Huang, Jia-min; Qian, Chao; Feng, Lie; Chen, Yun-bin; Chen, Xin-zhi, Monatshefte fuer Chemie, 2013, 144(8), 1187-1190
合成路线:1 步
参考文献:
Synthesis of N-methyldi-tert-butylamine: a highly hindered trialkylamine
Audeh, Costandi A.; Fuller, Steven E.; Hutchinson, Richard J.; Lindsay Smith, John R., Journal of Chemical Research, 1979, (8),
合成路线:1 步
参考文献:
Reactions of alkylbenzyldimethylammonium halides with amide in liquid ammonia
Bumgardner, Carl L.; Hsu, Hon-Bin; Afghahi, F.; Roberts, William L.; Purrington, Suzanne T., Journal of Organic Chemistry, 1979, 44(14), 2348-53
合成路线:1 步
反应条件:
参考文献:
Application of statistical design to organic synthesis. Reductive alkylation of tert-butylamine (Leuckart Reaction)
Meiners, Alfred F.; Bolze, Calvin; Scherer, Alfred L.; Morriss, F. V., Journal of Organic Chemistry, 1958, 23, 1122-5

叔丁基二甲基胺(918-02-5)上下游

叔丁基二甲基胺(918-02-5)相关文献

叔丁基二甲基胺(918-02-5)参考资料

Reaxys RN:
PubChem CID:

叔丁基二甲基胺(918-02-5) MSDS

基础信息

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

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
918-02-5tert-Butyldimethylamine98%unlisted
Hazard Symbols: F C
Risk Phrases: 11 34

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.

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.

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.

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.

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.

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.

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

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 918-02-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyldimethylamine - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

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

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.


SECTION 16 - ADDITIONAL INFORMATION
N/A