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246047-72-3价格

246047-72-3

246047-72-3结构式
246047-72-3结构式
  • 常用中文名:Grubbs 2 代催化剂
  • 常用英文名:Grubbs Catalyst 2nd Generation
  • CAS号:246047-72-3
  • 分子式:C46H65Cl2N2PRu
  • 分子量:848.971
  • 相关类别: 化学试剂 有机试剂 膦配体
  • 发布时间:2018-04-01 08:00:00
  • 更新时间:2024-01-02 11:16:24
  • Grubbs 第II代催化剂是将第I代催化剂中的三环己基膦配体置换为二取代二氢咪唑配体。由于配体中氮原子取代基的空间位阻效应和电子效应,催化剂在反应过程中比较稳定,自身不容易发生分解[4~6]。与第I代催化剂相比,它具有更强的稳定性,更高的反应活性。反应条件更加温和,用量也相对更小,大多情况下催化剂的用量在5 mol% 即可。而且反应时间也相应缩短,具有更加广阔的应用前景。

    与第I代催化剂不同的是,该试剂在催化多取代烯烃的RCM反应时,能够克服位阻的影响,高产率地得到三取代和四取代的环烯产物 (式1)。

    246047-72-3 use

    在催化分子内RCM反应生成大环类化合物时,第I代催化剂很容易发生分子间复分解反应,而使用第II代催化剂可以有效地提高分子内RCM反应的产率 (式2)。

    246047-72-3 use

    在缺电子烯烃或者炔烃发生RCM反应时,如果使用第I代催化剂必须添加路易斯酸试剂来提高反应的活性。然而,由于第II代催化剂自身较高的反应活性,即使不使用路易斯酸试剂,产物也能达到较好的收率 (式3)。

    246047-72-3 use

    在含氮类底物的RCM反应中,第II代催化剂对于游离胺仍然无能为力。但是,在Ti(O-iPr)4的帮助下,无需将胺转化为酰胺或者季铵盐便可以得到很好的收率 (式4,式5)。

    246047-72-3 use


化源商城直购

中文名 Grubbs 2 代催化剂
英文名 benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium,tricyclohexylphosphane
中文别名 Grubbs 第二代催化剂
格拉布催化剂
Grubbs第二代催化剂
1,3-双(2,4,6-三甲基苯基)-2-(咪唑烷亚基)(二氯苯亚甲基)(三环己基膦)钌
苯亚甲基-1,3-双(2,4,6-三甲苯基)-2-(咪唑啉卡宾)(三环己基磷)二氯化钌
Grubbs催化剂
Grubbs2代催化剂
GRUBB‘S第二代催化剂
英文别名 GRUBB'S SECOND GENERATION CATALYST
(1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene)dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium
[1,3-Bis-(2,4,6-trimethylpheny
MFCD03453237
Grubb's 2nd generation catalyst
Benzylidene(dichloro)(1,3-dimesityl-2-imidazolidinylidene)ruthenium - tricyclohexylphosphine (1:1)
Phosphine, tricyclohexyl-, compd. with [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)ruthenium (1:1)
Grubbs catalyst,2nd Generation
Grubbs 2
熔点 143-149ºC
分子式 C46H65Cl2N2PRu
分子量 848.971
精确质量 848.330627
PSA 20.07000
LogP 13.86190
外观性状 粉红色-棕色至红色-紫色晶体或粉末
储存条件 2-8°C
稳定性

该试剂对空气和湿气较稳定,即使放置在空气中也不会分解,其催化活性也不受到溶剂中的空气、水蒸气以及痕量杂质的影响。

计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积6.5

7.重原子数量:52

8.表面电荷:0

9.复杂度:927

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

更多

1.性状:紫红色粉末状固体

2..熔点(℃):143.5~148.5

3.溶解性:易溶于有机溶剂,通常在CH2Cl2、苯或者甲苯的溶液中使用。

Name: Grubb s second generation catalyst 97% Material Safety Data Sheet
Synonym:
CAS: 246047-72-3
Section 1 - Chemical Product MSDS Name:Grubb s second generation catalyst 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
246047-72-3 Grubb's second generation catalyst 97% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use and store under nitrogen.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under nitrogen.

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# 246047-72-3: 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: Crystals
Color: pink to brown
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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C46H65Cl2N2PRu
Molecular Weight: 848.99

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, exposure to air.
Incompatibilities with Other Materials:
Oxidizing agents, halogens, active metals.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrocarbons, ruthenium oxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 246047-72-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Grubb's second generation catalyst - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
No information available.

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# 246047-72-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 246047-72-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 246047-72-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
符号 GHS02
GHS02
信号词 Warning
危害声明 H228
警示性声明 P210
个人防护装备 Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
危害码 (欧洲) F
风险声明 (欧洲) 36/37/38
安全声明 (欧洲) 26-36/37/39
危险品运输编码 1325
WGK德国 3
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