Cobalt bis(2-ethylhexanoate)

• CAS: 136-52-7
• Catalog Number: ACM136527-2
• Category: Main Products
• Molecular Weight: 345.34
• Molecular Formula: C16H30CoO4
• Description: Liquid
• Synonyms: 2-(N,N-Dimethylamino)bromobenzene
• IUPAC Name: Cobalt(2+);2-ethylhexanoate
• Canonical SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]
• InChI: InChI=1S/2C8H16O2.Co/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;+2/p-2
• InChI Key: QAEKNCDIHIGLFI-UHFFFAOYSA-L
• Boiling Point: Decomposes at approximately 90 deg before boiling if heated in an aluminum crucible under nitrogen
• Melting Point: Melts in the range between 53-58 °C if heated in an aluminum crucible under nitrogen; melts under decomposition in the range between 64-84 °C if heated in an glass capillary under air
• Flash Point: 104 °F
• Density: 1.002 g/mL at 25 °C (lit.)
• Solubility: Insoluble in water
• Appearance: Purple liquid
• Color/Form: Blue liquid;Blue-violet mass;Purple to dark blue waxy solid at 20 °C
• Complexity: 93.9
• Covalently-Bonded Unit Count: 3
• EC Number: 205-250-6
• Exact Mass: 345.147603
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 21
• Monoisotopic Mass: 345.147603
• Other Experimental: Transformation/dissolution: the dissolution is 127.7 ug/L at 1 mg/L loading for the 28-day endpoint. The dissolution is 1405.1 ug/L at 10 mg/L loading for the 7-day endpoint. The dissolution is 14300.2 ug/L at 100 mg/L loading for the 7-day endpoint.
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 80.3 Ų

Case Study

Combination Catalytic System of Cobalt Bis(2-Ethylhexanoate) and Terpyridine Derivatives

Dai, Zinan, et al. Applied Organometallic Chemistry, 2021, 35(1), e6027.

An air-stable cobalt catalytic system consisting of cobalt bis(2-ethylhexanoate) [Co(iso-octoate)2] and terpyridine derivatives has been developed for catalytic hydrosilylation of olefins under mild conditions without the need for Grignard reagents or NaHBEt3. In addition, the comparison of catalytic performance between N monodentate, NN bidentate, and NNN tridentate ligands was studied.
Synthesis of the cobalt complexes and catalysis hydrosilylation
· In a flask, 1 mmol of Co(iso-octoate)2 and 1 mmol of ligands (L1-L5) were mixed with 30 ml of methanol, and the resulting solution was stirred at 65°C for two days. After filtering out the solid, the remaining liquid was evaporated using a rotary evaporator to eliminate the methanol, yielding a brown solid. This solid was then dissolved in CH2Cl2, and n-hexane was gradually added to the solution, resulting in the formation of a precipitate. Following filtration, the solvent was removed from the filtrate using a rotary evaporator, leaving behind a solid which was subsequently dried in a vacuum oven.
· The general procedure for the catalytic hydrosilylation of olefins involved placing 0.004 mmol of cobalt salt into a 10-ml pressure glass tube with a sealed lid. An olefin (4.0 mmol) and 0.88 g (4.4 mmol) of diphenylsilane were then added to the flask, and the mixture was stirred at temperatures ranging from 25°C to 60°C for the required duration, all under sealed conditions. The final product was obtained through decantation.

Cobalt Bis(2-Ethylhexanoate) Accelerates RAFT Polymerization of MMA

Zhang, Zhengbiao, et al. Journal of Polymer Science Part A: Polymer Chemistry, 2007, 45(24), 5722-5730.

Cobalt bis(2-ethylhexanoate) (CEH) is an atom transfer radical polymerization (ATRP) catalyst. In this work, the ATRP catalyst CEH was added to the thermally initiated reversible addition-fragmentation chain transfer (RAFT) polymerization system of methyl methacrylate (MMA). The results show that CEH can accelerate the RAFT polymerization of MMA, and the polymerization may be transformed from RAFT process to ATRP.
Free Radical Polymerization with CEH
· "Living"/controlled free radical polymerization of MMA using CPDN and CEH: A mixture of MMA, the RAFT agent 2-cyanoprop-2-yl 1-dithionaphthalate (CPDN), and CEH was placed in a dried ampoule. The solution was deoxygenated by bubbling argon through it for 20 minutes, after which the ampoule was flame-sealed and positioned in a thermostat-regulated oil bath. After the desired polymerization time, the ampoule was immersed in ice water for cooling. Then, the contents were dissolved in THF and precipitated into a large amount of petroleum. The polymer obtained by the filtrate was dried under vacuum at room temperature to constant weight.
· Chain extension of PMMA using PMMA as macro-RAFT agent: A specific amount of CEH and PMMA was dissolved in a measured quantity of MMA, maintaining the polymerization temperature at 115 °C. The remaining steps of the procedure were the same as previously described, except that CPDN was substituted with the PMMA synthesized earlier in the presence of CEH.

Custom Q&A

What is the molecular formula of Cobalt bis(2-ethylhexanoate)?

The molecular formula of Cobalt bis(2-ethylhexanoate) is C16H30CoO4.

What is the molecular weight of Cobalt bis(2-ethylhexanoate)?

The molecular weight of Cobalt bis(2-ethylhexanoate) is 345.34 g/mol.

What is the IUPAC name of Cobalt bis(2-ethylhexanoate)?

The IUPAC name of Cobalt bis(2-ethylhexanoate) is cobalt(2+);2-ethylhexanoate.

What is the InChIKey of Cobalt bis(2-ethylhexanoate)?

The InChIKey of Cobalt bis(2-ethylhexanoate) is QAEKNCDIHIGLFI-UHFFFAOYSA-L.

What is the canonical SMILES of Cobalt bis(2-ethylhexanoate)?

The canonical SMILES of Cobalt bis(2-ethylhexanoate) is CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2].

What is the CAS number of Cobalt bis(2-ethylhexanoate)?

The CAS number of Cobalt bis(2-ethylhexanoate) is 136-52-7.

What is the EC number of Cobalt bis(2-ethylhexanoate)?

The EC number of Cobalt bis(2-ethylhexanoate) is 205-250-6.

What is the hydrogen bond donor count of Cobalt bis(2-ethylhexanoate)?

The hydrogen bond donor count of Cobalt bis(2-ethylhexanoate) is 0.

What is the hydrogen bond acceptor count of Cobalt bis(2-ethylhexanoate)?

The hydrogen bond acceptor count of Cobalt bis(2-ethylhexanoate) is 4.