2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride

• CAS: 1228185-09-8
• Catalog Number: ACM1228185098-2
• Category: Other Products
• Molecular Weight: 459.49
• Molecular Formula: C27H36Cl2N2
• Synonyms: 1,3-Bis(2,6-Di-I-Propylphenyl)-2-Chloroimidazolium Chloride
• IUPAC Name: 2-chloro-1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride
• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2Cl)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-]
• InChI: JDMACANGISWEGX-UHFFFAOYSA-M
• InChI Key: InChI=1S/C27H36ClN2.ClH/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8;/h9-20H,1-8H3;1H/q+1;/p-1
• Melting Point: 283-285 °C
• Appearance: White solid
• Application: PhenoFluorMix is a bench-stable mixture of 07-0620 and cesium fluoride used for the deoxyfluorination of phenols, heterocyclic alcohols and structurally complex alcohols.
• Complexity: 453
• Covalently-Bonded Unit Count: 2
• Exact Mass: 458.226g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 31
• Isomeric SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2Cl)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-]
• Monoisotopic Mass: 458.226g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 8.8A^2

Custom Q&A

What is the molecular weight of 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

The molecular weight is 459.49414.

What are the product categories that 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride falls under?

It falls under Achiral Nitrogen and NHC categories.

What is the melting point of 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

The melting point is 283-285 °C.

How is 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride stored?

It is stored under inert gas (nitrogen or Argon) at 2-8 °C.

What is the color of 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

The color is White to Almost white.

What is a reaction that involves 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

PhenoFluorMix is a reaction involving 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride.

What are some uses of 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

It is used in the deoxyfluorination of phenols and in the synthetic preparation of aryl fluorides.

What is another name for 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

Its synonym is IPrCl HCl.

How is 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride classified in terms of use with radiolabeling?

It is used in conjunction with other compounds to incorporate the [18F]fluoride radiolabel site specifically into polypeptides for PET imaging.

What type of compounds can be fluorinated using 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride?

Phenols can be fluorinated using this compound.

Synthetic Use

Upstream Synthesis Route 1

• 244187-81-3

• 1228185-09-8

Reference: [1]Patent: WO2012/142162,2012,A2 .Location in patent: Page/Page column 20-21

Downstream Synthesis Route 1

• 1228185-09-8

• 1228185-17-8

Reference: [1]Journal of the American Chemical Society,2010,vol. 132,p. 7264 - 7265

* For details of the synthesis route, please refer to the original source to ensure accuracy.