The compound you described, **1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone**, is a fascinating organic molecule with a rather complex name. Let's break down its structure and why it might be important for research:
**Structure:**
* **1-(2,6,6-trimethyl-2-cyclohexen-1-yl):** This part refers to a substituted cyclohexene ring.
* **Cyclohexene:** A six-membered ring with one double bond.
* **2,6,6-trimethyl:** There are three methyl groups (CH3) attached to the cyclohexene ring at positions 2, 6, and 6.
* **1-yl:** The cyclohexene ring is attached to another part of the molecule at position 1.
* **2-butenone:** This is a ketone (containing a carbonyl group, C=O) attached to a four-carbon chain (butane) with a double bond at position 2.
**Overall, the molecule consists of a cyclohexene ring substituted with three methyl groups and attached to a butenone moiety.**
**Importance in Research:**
This specific compound is likely not well-known and hasn't been extensively studied. However, the combination of a cyclohexene ring and a butenone moiety could make it interesting for several research areas:
* **Synthesis:** The molecule has a complex structure, which could make it a challenging synthetic target. Researchers might be interested in developing efficient methods to synthesize this compound or similar structures.
* **Biological Activity:** The presence of a ketone group suggests potential biological activity. Ketones are commonly found in natural products and can be involved in a range of biological processes. This molecule might exhibit interesting pharmacological properties, such as antibacterial, antifungal, or anti-inflammatory activity.
* **Material Science:** Cyclohexene rings and butenone moieties are found in polymers and other materials. This molecule could be used as a building block for new materials with interesting properties, like increased strength, flexibility, or thermal resistance.
**Further Investigation:**
To understand the true significance of this compound, more information is needed:
* **What specific research group or project is studying this compound?** Knowing the context provides valuable insight into its potential applications.
* **What are the compound's physical and chemical properties?** Melting point, boiling point, solubility, reactivity, and spectroscopy data are crucial for understanding its behavior and applications.
* **Has the compound been tested for any biological activity or material properties?**
Without more information, it's difficult to definitively state the importance of 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone for research.
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone: used in skin testing for immune competence; structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone : An enone with a trimethylcyclohexenyl substituent at C-1. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
ID Source | ID |
---|---|
PubMed CID | 5366077 |
CHEMBL ID | 4535521 |
CHEBI ID | 53220 |
SCHEMBL ID | 454166 |
MeSH ID | M0160960 |
Synonym |
---|
24720-09-0 |
trans-2-buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- |
2-buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (e)- |
alpha-damascone |
43052-87-5 |
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone |
4-(2,6,6-trimethyl-2-cyclohexenyl)-2-buten-4-one |
1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone |
CHEBI:53220 , |
(2e)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one |
tmchb |
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-trans-2-buten-1-one |
1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one |
(e)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one |
(e)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-but-2-en-1-one |
23726-94-5 |
(e)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-2-buten-1-one |
A826126 |
AKOS006230666 |
2-buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2e)- |
(e)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one |
alpha-damascone, (e)- |
unii-mdd00fow8j |
einecs 246-430-4 |
mdd00fow8j , |
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one |
up5jtz982i , |
fema no. 3659 |
unii-up5jtz982i |
damascone, alpha- |
57549-92-5 |
STL373779 |
EPITOPE ID:112872 |
SCHEMBL454166 |
.alpha.-damascone, trans- |
(+/-)-(e)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one |
damascone, trans-.alpha.- |
trans-.alpha.-damascone |
fema no. 4088 |
trans-2,6,6-trimethyl-1-crotonoyl-2-cyclohexene |
(+/-)-(e)-.alpha.-damascone |
(e)-.alpha.-damascone |
.alpha.-damascone, (e)- |
trans-.alpha.-damascone [fhfi] |
DTXSID8051912 |
trans-2.6.6-trimethyl-1-crotonoyl-2-cyclohexene |
2,6,6-trimethyl-1-crotonoyl-2-cyclohexene |
(2e)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one |
.alpha.-(e)-damascone |
4-(2.6.6-trimethyl cyclohex-2-enyl)-but-2-en-4-one |
2-buten-1-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-,(2e)- |
alpha-damascone, united states pharmacopeia (usp) reference standard |
alpha-damascone, analytical standard |
(e)-alpha-damascone |
1-(2,6,6-trimethyl-cyclohex-2-enyl)-but-2-en-1-one |
(e)-1-(2,6,6-trimethylcyclohex-2-enyl)but-2-en-1-one |
1-(2,6,6-trimethylcyclohex-2-enyl)but-2-en-1-one |
mfcd00673214 |
Q27124033 |
AS-15964 |
CHEMBL4535521 |
CS-0452484 |
Role | Description |
---|---|
fragrance | A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. |
allergen | A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. |
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] |
Class | Description |
---|---|
enone | An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position. |
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 1 (16.67) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 3 (50.00) | 29.6817 |
2010's | 2 (33.33) | 24.3611 |
2020's | 0 (0.00) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.27) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 1 (16.67%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 5 (83.33%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |