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1,3-Bis(2,6-di-i-propylphenyl)imidazolidin-2-ylidene - 98%, high purity , CAS No.258278-28-3

COA

Grade & Purity:

≥98%

Cas Number: 258278-28-3
Molecular Weight: 390.62
MDL number: MFCD10567379
PubChem CID: 10883669

In stock

Item Number

B115652

Grouped product items
SKU	Size	Availability	Price
B115652-100mg	100mg	3	$81.90
B115652-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$323.90
B115652-2g	2g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$965.90

View related series

Carbene (21) Carbon donating ligand (28) Free radical (23)

Basic Description

Synonyms	SIPr \| XZDYFCGKKKSOEY-UHFFFAOYSA-N \| A877468 \| AKOS016000538 \| SC11696 \| 1,3-Bis(2,6-di-i-propylphenyl)imidazolidin-2-ylidene \| DTXSID80447035 \| 1,3-bis[2,6-bis(propan-2-yl)phenyl]-4,5-dihydro-3H-1??-imidazol-1-ylium-2-ide \| FT-0700099 \| AKOS025243481 \| 1
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	It is a catalyst for transformation of organometallic iron complexes、selective production of 5-hydroxymethylfurfural from glucose and fructose、annulation of heterocycles via redox processing、 pyridines、cyclotrimerization of isocyanates and ring-opening alkylation.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Cumenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Cumenes
Intermediate Tree Nodes	Not available
Direct Parent	Cumenes
Alternative Parents	Phenylpropanes Aniline and substituted anilines Imidazolines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpropane - Cumene - Aniline or substituted anilines - 2-imidazoline - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-1-ium-2-ide
INCHI	InChI=1S/C27H38N2/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/h9-14,18-21H,15-16H2,1-8H3
InChIKey	XZDYFCGKKKSOEY-UHFFFAOYSA-N
Smiles	CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C
Isomeric SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C
Molecular Weight	390.62
Reaxy-Rn	8439655
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8439655&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Lot Number	Certificate Type	Date	Item
E2421124	Certificate of Analysis	Apr 10, 2024	B115652

Chemical and Physical Properties

Sensitivity	Air Sensitive,Moisture Sensitive,Heat Sensitive
Melt Point(°C)	170-175°C
Molecular Weight	390.600 g/mol
XLogP3	7.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	390.303 Da
Monoisotopic Mass	390.303 Da
Topological Polar Surface Area	6.300 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	466.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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