852445-83-1 (1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯,(1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-ylidene)gold(III) chlorid)

快速询单

结构式：

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯MOL文件

CAS号：

852445-83-1

中文名称：

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯

英文名称：

(1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-ylidene)gold(III) chlorid

安全信息：

分子式：

C₂₇H₃₆AuClN₂

分子量：

621.007699012756

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)名称与标识符

名称

中文别名：

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯;[1,3-双(2,6-二异丙苯基)咪唑-2-亚基]氯化金(I);1,3-双(2,6-二-异丙基苯基)咪唑-2-亚基金(I)氯化物;1,3-双(2,6-二-异丙基苯基)亚氨唑-2-金(I)氯;氯[1,3-双(2,6-二异丙苯基)咪唑-2-基]金;

英文别名：

(1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold;Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold(I);(1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium-2-yl) gold chloride;[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-chlorogold;1,3-Bis(2,6-di-isopropylphenyl)imidazol-2-ylidene gold(I) chloride;1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene gold(I)chloride;Ipr AuCl;(1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-ylidene)gold(III) chlorid;[1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene]chlorogold (ACI);(1,3-Bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene)gold(I) chloride;[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](chloro)gold;[1,3-Bis(2,6-diisopropylphenyl)-2-imidazolylidene]chlorogold;[1,3-Bis(diisopropylphenyl)-2-imidazolylidene]chlorogold;Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold;IPrAuCl;{1,3-Bis[2,6-di(propan-2-yl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene}(chloro)gold;AuCl(IPr);1,3-Bis(2,6-di-isopropylphenyl)imidazol-2-ylidenegold(I) chloride, 95%;DTXSID80693479;1,3-Bis(2,6-di-isopropylphenyl)iMidazol-2-ylidene gold(I) chloride,;[1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOL-2-YLIDENE](CHLORO)GOLD;852445-83-1;AKOS015951030;1,3-BIS(2,6-DI-ISOPROPYLPHENYL)IMIDAZOL-2-YLIDENEGOLD(I)CHLORIDE;

标识符

MDL：

MFCD09839143

InChIKey：

CNJQLSINQGKZAW-UHFFFAOYSA-M

Inchi：

1S/C27H36N2.Au.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-16,18-21H,1-8H3;;1H/q;+1;/p-1

SMILES：

Cl[Au]=C1N(C2C(C(C)C)=CC=CC=2C(C)C)C=CN1C1C(C(C)C)=CC=CC=1C(C)C |^1:1|

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)物化性质

实验特性

熔点 : 298 °C
颜色与性状 : 无可用
稳定性 : store cold

计算特性

精确分子量 : 620.223
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 6
同位素质量 : 620.223
重原子数量 : 31
复杂度 : 559
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） : 无
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 6.5A^2

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)安全信息

符号： GHS07
WGK Germany： 3
安全说明： 26-36/37
危险品标志： Xi
危险品运输编号： NONH for all modes of transport
危害声明：H315-H319-H335
警示性声明：P261-P305+P351+P338
储存条件： 0-10°C
危险类别码： 36/37/38
信号词： Warning

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)国际标准相关数据

EINECS：

125307291

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)推荐厂家更多厂家(23)

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1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)合成路线

合成路线：1 步

1240328-73-7

_100%

852445-83-1

反应条件：

1.1 Reagents: Chlorodimethylphenylsilane Solvents: Toluene ; 6 h, rt

参考文献：

A N-heterocyclic carbene gold hydroxide complex: a golden synthon

Gaillard, Sylvain; Slawin, Alexandra M. Z.; Nolan, Steven P., Chemical Communications (Cambridge, 2010, 46(16), 2742-2744

合成路线：1 步

250285-32-6

_99%

852445-83-1

反应条件：

1.1 Reagents: Potassium bicarbonate , Chloro(tetrahydrothiophene)gold Solvents: Methanol , Dichloromethane ; 3 d, rt

参考文献：

NHC-Gold-Alkyne Complexes: Influence of the Carbene Backbone on the Ion Pair Structure

Ciancaleoni, Gianluca; Biasiolo, Luca; Bistoni, Giovanni; Macchioni, Alceo; Tarantelli, Francesco; et al, Organometallics, 2013, 32(15), 4444-4447

合成路线：1 步

250285-32-6

_98%

852445-83-1

反应条件：

1.1 Reagents: Gold, chloro[thiobis[methane]]- Solvents: Dichloromethane ; 5 min, 35 °C
1.2 Reagents: Potassium carbonate Solvents: Water ; 10 min, 35 °C

参考文献：

Rapid and mild synthesis of Au-NHC complexes in a simple two-phase flow reactor

Jonsson, Helgi Freyr; Fiksdahl, Anne; Harvie, Andrew J., Dalton Transactions, 2021, 50(23), 7969-7975

合成路线：1 步

250285-32-6

_97%

852445-83-1

反应条件：

1.1 Reagents: Potassium carbonate , Gold, chloro[thiobis[methane]]- Solvents: Acetone ; 1 h, 60 °C

参考文献：

Straightforward synthesis of [Au(NHC)X] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes

Collado, Alba; Gomez-Suarez, Adrian; Martin, Anthony R.; Slawin, Alexandra M. Z.; Nolan, Steven P., Chemical Communications (Cambridge, 2013, 49(49), 5541-5543

合成路线：1 步

250285-32-6

_96%

852445-83-1

反应条件：

1.1 Reagents: Gold, chloro[thiobis[methane]]- Solvents: Acetone ; 10 min, 60 °C
1.2 Reagents: Sodium acetate ; 50 min, 60 °C

参考文献：

Using sodium acetate for the synthesis of [Au(NHC)X] complexes

Scattolin, Thomas; Tzouras, Nikolaos V.; Falivene, Laura; Cavallo, Luigi; Nolan, Steven P., Dalton Transactions, 2020, 49(28), 9694-9700

合成路线：1 步

250285-32-6

_95%

852445-83-1

反应条件：

1.1 Reagents: 1-Butanaminium, N,N,N-tributyl-, salt with 2,4-pentanedione (1:1) , Chloro(tetrahydrothiophene)gold Solvents: Dichloromethane ; 1 h

参考文献：

An efficient and sustainable synthesis of NHC gold complexes

Johnson, Alice; Gimeno, M. Concepcion, Chemical Communications (Cambridge, 2016, 52(62), 9664-9667

合成路线：1 步

250285-32-6

_94%

852445-83-1

反应条件：

1.1 Reagents: Potassium carbonate , Gold, chloro[thiobis[methane]]- Solvents: Acetone ; 60 °C

参考文献：

Synthesis of L-Au(I)-CF2H Complexes and Their Application as Transmetalation Shuttles to the Difluoromethylation of Aryl Iodides

Garcia-Dominguez, Patricia, Organometallics, 2021, 40(17), 2923-2928

合成路线：1 步

286014-24-2

_94%

852445-83-1

反应条件：

1.1 Reagents: Silver oxide (Ag2O) Solvents: Dichloromethane ; overnight, rt
1.2 Reagents: Gold, chloro[thiobis[methane]]- Solvents: Dichloromethane ; overnight, rt

参考文献：

Simple and Mild Synthesis of Indoles via Hydroamination Reaction Catalysed by NHC-Gold Complexes: Looking for Optimized Conditions

Michalska, Malina; Grela, Karol, Synlett, 2016, 27(4), 599-603

合成路线：1 步

250285-32-6

_94%

852445-83-1

反应条件：

1.1 Reagents: Silver oxide (Ag2O) , Chloro(tetrahydrothiophene)gold Solvents: Dichloromethane ; 4 h, rt

参考文献：

Synthesis and Structural Characterization of Water-Soluble Gold(I) N-Heterocyclic Carbene Complexes. An X-ray Absorption Fine Structure Spectroscopy (XAFS) Study

Fernandez, Gabriela A.; Picco, Agustin S.; Ceolin, Marcelo R.; Chopa, Alicia B.; Silbestri, Gustavo F., Organometallics, 2013, 32(21), 6315-6323

合成路线：1 步

286014-24-2

21534-24-7

_93%

852445-83-1

反应条件：

1.1 Reagents: Potassium carbonate Solvents: Acetone ; 2 min, 40 °C

参考文献：

Continuous Flow Synthesis of Metal-NHC Complexes**

Simoens, Andreas; Scattolin, Thomas; Cauwenbergh, Thibault; Pisano, Gianmarco; Cazin, Catherine S. J.; et al, Chemistry - A European Journal, 2021, 27(18), 5653-5657

合成路线：1 步

250285-32-6

_93%

852445-83-1

反应条件：

1.1 Reagents: Chloro(tetrahydrothiophene)gold Solvents: Dichloromethane ; 15 min, rt
1.2 Reagents: Potassium carbonate ; 1.5 h, rt

参考文献：

Simple and efficient synthesis of [MCl(NHC)] (M = Au, Ag) complexes

Visbal, Renso; Laguna, Antonio; Gimeno, M. Concepcion, Chemical Communications (Cambridge, 2013, 49(50), 5642-5644

合成路线：1 步

250285-32-6

_91%

852445-83-1

反应条件：

1.1 Reagents: Silver oxide (Ag2O) Solvents: Dichloromethane ; 3 h, 30 °C
1.2 Reagents: Gold, chloro[thiobis[methane]]- Solvents: Dichloromethane ; 3 h, 30 °C

参考文献：

Intermolecular mono- and dihydroamination of activated alkenes using a recoverable gold catalyst

Medina, Florian; Michon, Christophe; Agbossou-Niedercorn, Francine, European Journal of Organic Chemistry, 2012, 2012(31), 6218-6227

合成路线：1 步

250285-32-6

_89%

852445-83-1

反应条件：

1.1 Reagents: Sodium carbonate , Potassium tetrachloroaurate Solvents: 3-Chloropyridine ; 24 h, 80 °C

参考文献：

A direct and practical approach for the synthesis of N-heterocyclic carbene coinage metal complexes

Zhu, Shifa; Liang, Renxiao; Jiang, Huanfeng, Tetrahedron, 2012, 68(38), 7949-7955

合成路线：1 步

250285-32-6

_89%

852445-83-1

反应条件：

1.1 Reagents: Sodium carbonate , Potassium tetrachloroaurate Solvents: 3-Chloropyridine ; 24 h, 80 °C

参考文献：

A direct and practical approach for the synthesis of Au(I)-NHC complexes from commercially available imidazolium salts and Au(III) salts

Zhu, Shifa; Liang, Renxiao; Chen, Lijuan; Wang, Chao; Ren, Yanwei; et al, Tetrahedron Letters, 2012, 53(7), 815-818

合成路线：1 步

250285-32-6

_88%

852445-83-1

反应条件：

1.1 Reagents: Potassium carbonate , Oxygen , Gold, chloro[thiobis[methane]]- ; 30 min, rt

参考文献：

General Mechanochemical Synthetic Protocol to Late Transition Metal-NHC (N-Heterocyclic Carbene) Complexes

Pisano, Gianmarco; Cazin, Catherine S. J., ACS Sustainable Chemistry & Engineering, 2021, 9(29), 9625-9631

合成路线：1 步

29892-37-3

_87%

852445-83-1

参考文献：

Mechanism of Photoredox-Initiated C-C and C-N Bond Formation by Arylation of IPrAu(I)-CF3 and IPrAu(I)-Succinimide

Kim, Suhong; Toste, F. Dean, Journal of the American Chemical Society, 2019, 141(10), 4308-4315

合成路线：1 步

873297-19-9

_86%

852445-83-1

反应条件：

1.1 Reagents: Gold, chloro[thiobis[methane]]- Solvents: Dichloromethane ; 2 h, rt

参考文献：

N,N'-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene gold(I) chloride

Ramon, Ruben S.; Nolan, Steven P., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2011, 1, 1-7

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)相关文献

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1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)参考资料

Reaxys RN：

PubChem CID：

125307291

80373-22-4(Quinpirole) 80403-94-7(Ethanone, 1-(3-chloro-5-isoxazolyl)- (9CI)) 80405-17-0(（2S）-2-（{[（1R，7aR）-1-（乙酰氧基）-2,3,5,7a-四氢-1H-吡咯嗪-7-基]甲氧基}羰基）-2-羟基-1,3-二甲基丁基（2E）-2-甲基丁-2-烯酸酯) 80405-18-1(（1S，2S）-2-羟基-2-（{[（1R，7aR）-1-羟基-2,3,5,7a-四氢-1H-吡咯嗪-7-基]甲氧基}羰基）-1,3-二甲基丁基（2E）-2-甲基丁-2-烯酸酯) 79781-00-3(compound 80-53) 803736-82-5(5-溴-2,6-二氯喹啉) 80379-10-8((S)-1-(2-硝基苯基)乙醇) 8039-11-0(2-octyldodecan-1-ol)

852445-83-1 (1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯,(1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-ylidene)gold(III) chlorid)

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)名称与标识符

名称

标识符

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)物化性质

实验特性

计算特性

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)安全信息

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)国际标准相关数据

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)推荐厂家 更多厂家(23)

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)合成路线

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)相关文献

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)参考资料

目录

1,3-双(2,6-二异丙基苯基咪唑-2-亚基)金(I)酰氯(852445-83-1)推荐厂家更多厂家(23)