(4E)-5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one--manganese (3/1)
Basic information
- CAS
14324-99-3- Standard SMILES
CC(C)(C)C(=O)/C=C(/O)C(C)(C)C.CC(C)(C)C(=O)/C=C(/O)C(C)(C)C.CC(C)(C)C(=O)/C=C(/O)C(C)(C)C.[Mn]- InChIKey
JFJXUVXSIUJJNC-QFVJJVGWSA-N- Molecular formula
- C33H60MnO6
- Average molar mass
- 607.8 g/mol
- Monoisotopic mass
- 607.377033
Names & identifiers
- Preferred name
- (4E)-5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one--manganese (3/1)
- IUPAC
- tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese
- English name
- MN(TMHD)3
- Molecular formula
- C33H57MnO6
- Molecular weight
- 604.74
Names & synonyms
Mn(TMHD)3SCHEMBL29508363DTXSID40746293JFJXUVXSIUJJNC-QFVJJVGWSA-N(4E)-5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one--manganese (3/1)Mn(dpm)3Tris(dipivaloylmethanato)manganeseTris(2,2,6,6-tetramethyl-3,5-heptanedionato)manganeseTris[(2,2,6,6-tetramethyl-5-oxo-3-hepten-3-yl)oxy]manganesemanganicanese(III)-3,5-heptanedionato)mang
Show more names
Tris(2,2,6,6-tetramethyLShenvi Hydrogenation Catalyst
Database identifiers
- CAS
14324-99-3- PubChem CID
- 131742016
- DTXSID
DTXSID40746293
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 165 °C · 165°C
- Boiling point
- 255 °C · 255°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- crystal
- color
- black
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- InChI
- 1S/3C11H20O2.Mn/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3/b3*8-7-;
- InChIKey
- ORZPLLPBZHORSD-LWTKGLMZSA-K
- SMILES
- CC(C)(C)C(=O)\C=C(/O[Mn](O\C(=C/C(=O)C(C)(C)C)C(C)(C)C)O\C(=C/C(=O)C(C)(C)C)C(C)(C)C)C(C)(C)C
- UNSPSC Code
- 12161600 · 12161600
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesCatalyst for: Intramolecular Diels-Alder reactionsSingle electron donor for excess electron transfer studies in DNAEnantioselective synthesisBorylation reactionsHydrohydrazination and hydroazidationOxidative carbonylation of phenol
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Related reactions
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Compound notes
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