Basic information
- CAS
6738-27-8- Standard SMILES
CC=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1- InChIKey
KEJPWCIDZLVYDJ-UHFFFAOYSA-N- Molecular formula
- C16H24O
- Average molar mass
- 232.36 g/mol
- Monoisotopic mass
- 232.18271539
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-ethylidene-
- IUPAC
- 2,6-ditert-butyl-4-ethylidenecyclohexa-2,5-dien-1-one
- English name
- 2,6-di-tert-butyl-4-ethylidenecyclohexa-2,5-en-1-one
- Molecular formula
- C16H24O
- Molecular weight
- 232.36
Names & synonyms
6738-27-82,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-ethylidene-2,5-Cyclohexadien-1-one, 2,6-di-tert-butyl-4-ethylidene-NSC 87400EINECS 229-795-4NSC 144522,6-Bis(1,1-dimethylethyl)-4-ethylidene-2,5-cyclohexadiene-1-oneDTXSID50644652,6-Bis(1,1-dimethylethyl)-4-ethylidene-2,5-cyclohexadiene-1-on2,6-Bis(1,1-dimethylethyl)-4-ethylidene-2,5-cyclohexadien-1-oneRefChem:444153DTXCID8044888
Show more names
2,6-Di-tert-butyl-4-ethylidene-2,5-cyclohexadien-1-one2,6-Di-tert-butyl-4-ethylidene-2,5-cyclohexadiene-1-one
2,6-di-tert-butyl-4-ethylidenecyclohexa-2,5-dienone4-ethylidene-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one2,6-Di-tert-butyl-4-ethylidenecyclohexa-2,5-en-1-one2,6-ditert-butyl-4-ethylidenecyclohexa-2,5-dien-1-one2,6-DI-TERT-BUTYL-4-ETHYLIDENECYCLOHEXA-2,5-DIEN-1-ONE56C43WA7V2NSC-14452NSC-87400
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 324.8 · 324.8±9.0 °C(Predicted)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Yellow
- Stability
- Light Sensitive
- FDA UNII
- 56 C43WA7V2 · 56C43WA7V2
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-ethylidene- (6738-27-8)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H314-H330
- Precautionary statements
- 260 · P260-P280-P284-P301+P310-P305+P351+P338-P310
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H301-H314-H330
- Precautionary statements
- P260-P280-P284-P301+P310-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-ethylidene-: INACTIVE
Applications
Uses2,6-Bis(1,1-dimethylethyl)-4-ethylidene-2,5-cyclohexadien-1-one is a useful reagent for stereoselective catalytic 1,6-conjugate addition reaction of quinone methides with carbon-nucleophiles. It can also be utilized in Fe-catalyzed hydroalkylation of olefins with para-quinone methides.
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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