Jacobsen's catalyst
TL;DR: Jacobsen's catalyst (CAS 138124-32-0) is a chemical compound with molecular formula C36H52ClMnN2O2 and molecular weight 634.30975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;manganese(3+);chloride
Also Known As: Jacobsen's catalyst, (S,S)-Jacobsen's catalyst, (R,R)-Jacobsen's catalyst, tert-butylphenolate) chloride, Jacobsen's catalyst (R,R)-form [MI]
Technical Specifications
| Molecular Formula | C36H52ClMnN2O2 |
| Molecular Weight | 634.30975 g/mol |
| XLogP | 4.8745 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 634.30975 Da |
| Heavy Atoms | 42 |
| Complexity | 793.0 |
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C=NC2CCCCC2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)[O-].[Cl-].[Mn+3] |
| InChIKey | LJVAWOSDJSQANR-UHFFFAOYSA-K |
Chemical Property Profile of Jacobsen's catalyst
Property Insights of Jacobsen's catalyst
The XLogP value of 4.8745 indicates that Jacobsen's catalyst is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Jacobsen's catalyst. Following Lipinski's Rule of Five, Jacobsen's catalyst has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Jacobsen's catalyst?
The CAS number of Jacobsen's catalyst is 138124-32-0.
What is the molecular formula of Jacobsen's catalyst?
The molecular formula of Jacobsen's catalyst is C36H52ClMnN2O2.
What is the molecular weight of Jacobsen's catalyst?
The molecular weight of Jacobsen's catalyst is 634.30975 g/mol.
Where can I buy Jacobsen's catalyst?
You can request a quote for Jacobsen's catalyst directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Jacobsen's catalyst?
Yes, CoreyChem provides custom synthesis services for Jacobsen's catalyst and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.