Cas no 103576-44-9 (5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione)
5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione is a specialized chemical compound featuring a dioxane-dione core functionalized with an octanoyl group and dimethyl substituents. Its structure imparts reactivity as an acylating agent, making it valuable in synthetic organic chemistry for the introduction of octanoyl moieties. The compound’s stability and controlled reactivity are advantageous in fine chemical synthesis, particularly for constructing complex molecules under mild conditions. Its crystalline form ensures ease of handling and precise stoichiometric use. Applications include pharmaceutical intermediates and agrochemical research, where selective acylation is required. The product is typically characterized by high purity, ensuring reproducibility in laboratory and industrial processes.
103576-44-9 structure
Product Name:5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione
CAS No:103576-44-9
MF:C14H22O5
MW:270.321485042572
CID:125733
PubChem ID:356703
Update Time:2025-05-28
5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(1-oxooctyl)-
- 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione
- 5-Octanoyl-2,2-dimet
- SPC
- 2,2-dimethyl-5-octanoyl-1,3-dioxane-4,6-dione
- 2,2-dimethyl-5-(1-oxooctyl)-1,3-Dioxane-4,6-dione
- DTXSID50326747
- FT-0673202
- NSC-613594
- starbld0004268
- J-001002
- NSC613594
- UQMZDDUUYXBLHI-UHFFFAOYSA-N
- 103576-44-9
- SCHEMBL3782935
- DB-263653
-
- Inchi： 1S/C14H22O5/c1-4-5-6-7-8-9-10(15)11-12(16)18-14(2,3)19-13(11)17/h11H,4-9H2,1-3H3
- InChI Key： UQMZDDUUYXBLHI-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)OC1(C)C)C(CCCCCCC)=O)=O
Computed Properties
- Exact Mass: 270.14700
- Monoisotopic Mass: 270.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 339
- 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: 3.6
- Topological Polar Surface Area: 69.7A^2
Experimental Properties
- Density: 1.08
- Boiling Point: 458.1°C at 760 mmHg
- Flash Point: 204.1°C
- Refractive Index: 1.457
- PSA: 69.67000
- LogP: 2.36830
5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | O238500-500mg |
5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione |
103576-44-9 | 500mg |
$150.00 | 2023-05-17 | ||
| TRC | O238500-5g |
5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione |
103576-44-9 | 5g |
$ 970.00 | 2022-06-03 | ||
| TRC | O238500-5000mg |
5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione |
103576-44-9 | 5g |
$1171.00 | 2023-05-17 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-207049-500 mg |
5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione, |
103576-44-9 | 500MG |
￥2,256.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-207049-500mg |
5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione, |
103576-44-9 | 500mg |
￥2256.00 | 2023-09-05 | ||
| A2B Chem LLC | AD69644-500mg |
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(1-oxooctyl)- |
103576-44-9 | 500mg |
$1100.00 | 2024-04-20 | ||
| A2B Chem LLC | AD69644-2.5g |
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(1-oxooctyl)- |
103576-44-9 | 2.5g |
$2200.00 | 2024-04-20 |
5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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