Cas no 27513-35-5 (ethyl 3,5-dioxocyclohexane-1-carboxylate)
Ethyl 3,5-dioxocyclohexane-1-carboxylate is a versatile cyclic diketone ester widely utilized in organic synthesis and pharmaceutical intermediates. Its structure, featuring both a keto and ester functional group, enables its use as a key building block in the preparation of heterocyclic compounds, such as pyridines and pyrroles. The compound exhibits high reactivity in condensation and cyclization reactions, making it valuable for constructing complex molecular frameworks. Its stability under standard conditions and compatibility with a range of reagents further enhance its utility in multistep synthetic routes. The product is typically supplied with high purity, ensuring consistent performance in research and industrial applications.
27513-35-5 structure
Product Name:ethyl 3,5-dioxocyclohexane-1-carboxylate
CAS No:27513-35-5
MF:C9H12O4
MW:184.189183235168
CID:1061556
PubChem ID:11252382
Update Time:2025-06-07
ethyl 3,5-dioxocyclohexane-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Dioxocyclohexanecarboxylic Acid Ethyl Ester
- ethyl 3,5-dioxocyclohexane-1-carboxylate
- 27513-35-5
- CS-0183660
- AT29925
- ethyl 3,5-dioxocyclohexanecarboxylate
- EN300-80461
- ethyl3,5-dioxocyclohexanecarboxylate
- cyclohexanecarboxylic acid,3,5-dioxo-,ethyl ester
- SB12303
- SCHEMBL6903800
- DB-314901
- Cyclohexanecarboxylic acid, 3,5-dioxo-, ethyl ester
-
- Inchi： 1S/C9H12O4/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h6H,2-5H2,1H3
- InChI Key： RPRRICYOWFRORO-UHFFFAOYSA-N
- SMILES： O(CC)C(C1CC(CC(C1)=O)=O)=O
Computed Properties
- Exact Mass: 184.07355886g/mol
- Monoisotopic Mass: 184.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 228
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Boiling Point: 310.9±42.0 °C at 760 mmHg
- Flash Point: 137.4±27.9 °C
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
ethyl 3,5-dioxocyclohexane-1-carboxylate Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
ethyl 3,5-dioxocyclohexane-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D486370-250mg |
3,5-Dioxocyclohexanecarboxylic Acid Ethyl Ester |
27513-35-5 | 250mg |
$ 224.00 | 2023-09-07 | ||
| TRC | D486370-2.5g |
3,5-Dioxocyclohexanecarboxylic Acid Ethyl Ester |
27513-35-5 | 2.5g |
$ 1696.00 | 2023-09-07 | ||
| A2B Chem LLC | AF62754-250mg |
Ethyl 3,5-dioxocyclohexanecarboxylate |
27513-35-5 | 97% | 250mg |
$880.00 | 2024-04-20 | |
| A2B Chem LLC | AF62754-500mg |
Ethyl 3,5-dioxocyclohexanecarboxylate |
27513-35-5 | 97% | 500mg |
$1335.00 | 2024-04-20 | |
| A2B Chem LLC | AF62754-1g |
Ethyl 3,5-dioxocyclohexanecarboxylate |
27513-35-5 | 97% | 1g |
$2035.00 | 2024-04-20 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB07454-100.0mg |
ethyl 3,5-dioxocyclohexane-1-carboxylate |
27513-35-5 | 95% | 100.0mg |
￥752.0000 | 2024-08-03 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB07454-250.0mg |
ethyl 3,5-dioxocyclohexane-1-carboxylate |
27513-35-5 | 95% | 250.0mg |
￥1004.0000 | 2024-08-03 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB07454-500.0mg |
ethyl 3,5-dioxocyclohexane-1-carboxylate |
27513-35-5 | 95% | 500.0mg |
￥1679.0000 | 2024-08-03 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB07454-1.0g |
ethyl 3,5-dioxocyclohexane-1-carboxylate |
27513-35-5 | 95% | 1.0g |
￥2877.0000 | 2025-04-11 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB07454-5.0g |
ethyl 3,5-dioxocyclohexane-1-carboxylate |
27513-35-5 | 95% | 5.0g |
￥8631.0000 | 2025-04-11 |
ethyl 3,5-dioxocyclohexane-1-carboxylate Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
27513-35-5 (ethyl 3,5-dioxocyclohexane-1-carboxylate) Related Products
- 88805-32-7(Cyclohexanecarboxylic acid, 3,5-dioxo-4-(1-oxopropyl)-, ethyl ester)
- 88805-42-9(Cyclohexanecarboxylic acid, 3,5-dioxo-4-(1-oxobutyl)-, 2-methylpropylester)
- 88805-48-5(Cyclohexanecarboxylic acid, 3,5-dioxo-4-(1-oxohexyl)-, ethyl ester)
- 61621-66-7(Cyclohexanecarboxylic acid, 2,2'-(1,6-hexanediyl)bis[4,6-dioxo-, diethyl ester (9CI))
- 63166-40-5(Cyclohexanecarboxylic acid, 6-methyl-2,4-dioxo-3-(1-oxopropyl)-, ethyl ester)
- 61621-49-6(Cyclohexanecarboxylic acid, 2-nonyl-4,6-dioxo-, ethyl ester)
- 88805-39-4(Cyclohexanecarboxylic acid, 3,5-dioxo-4-(1-oxobutyl)-, propyl ester)
- 88805-27-0(Cyclohexanecarboxylic acid, 4-acetyl-3,5-dioxo-, butyl ester)
- 88805-41-8(Cyclohexanecarboxylic acid, 3,5-dioxo-4-(1-oxobutyl)-, butyl ester)
- 61621-60-1(Cyclohexanecarboxylic acid, 2,4-dioxo-6-tridecyl-, ethyl ester)
Recommended suppliers
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk