DIETHYL 4-OXOCYCLOHEXANE-1,1-DICARBOXYLATE
- Product Name
- DIETHYL 4-OXOCYCLOHEXANE-1,1-DICARBOXYLATE
- CAS No.
- 55704-60-4
- Chemical Name
- DIETHYL 4-OXOCYCLOHEXANE-1,1-DICARBOXYLATE
- Synonyms
- 4,4-dicarboethoxycyclohexanone;4,4-Bis(ethoxycarbonyl)cyclohexanone;DIETHYL 4-OXOCYCLOHEXANE-1,1-DICARBOXYLATE;Diethyl 4-oxo-1,1-cyclohexanedicarboxylate;1,1-diethyl 4-oxocyclohexane-1,1-dicarboxylate;diethyl 4-oxocyclohexane-1,1-dicarboxylate 97%;4-Oxo-1,1-cyclohexanedicarboxylic acid diethyl ester;1,1-Cyclohexanedicarboxylic acid, 4-oxo-, diethyl ester;4-oxo-1,1-Cyclohexanedicarboxylic acid 1,1-diethyl ester
- CBNumber
- CB7314658
- Molecular Formula
- C12H18O5
- Formula Weight
- 242.27
- MOL File
- Mol file
DIETHYL 4-OXOCYCLOHEXANE-1,1-DICARBOXYLATE Property
- Boiling point:
- 175 °C(Press: 0.5 Torr)
- Density
- 1.155
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Colorless to off-white Solid
- InChI
- InChI=1S/C12H18O5/c1-3-16-10(14)12(11(15)17-4-2)7-5-9(13)6-8-12/h3-8H2,1-2H3
- InChIKey
- GDAVCKWOYPPSEU-UHFFFAOYSA-N
- SMILES
- C1(CCC(=O)CC1)(C(=O)OCC)C(=O)OCC
Safety
- HS Code
- 2902110000
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
N-Bromosuccinimide Price
- Product number
- FD141844
- Product name
- Diethyl 4-oxocyclohexane-1,1-dicarboxylate
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- FD141844
- Product name
- Diethyl 4-oxocyclohexane-1,1-dicarboxylate
- Packaging
- 250mg
- Price
- $125
- Updated
- 2021/12/16
- Product number
- 2229-1-19
- Product name
- Diethyl 4-oxocyclohexane-1,1-dicarboxylate
- Packaging
- 1g
- Price
- $183
- Updated
- 2021/12/16
- Product number
- FD141844
- Product name
- Diethyl 4-oxocyclohexane-1,1-dicarboxylate
- Packaging
- 500mg
- Price
- $200
- Updated
- 2021/12/16
- Product number
- FD141844
- Product name
- Diethyl 4-oxocyclohexane-1,1-dicarboxylate
- Packaging
- 1g
- Price
- $300
- Updated
- 2021/12/16
DIETHYL 4-OXOCYCLOHEXANE-1,1-DICARBOXYLATE Chemical Properties,Usage,Production
Synthesis
92454-00-7
55704-60-4
To 4,4-bis(ethoxycarbonyl)heptanedioic acid (23.6 g, 78 mmol) was added the compound in 100 mL of a premixed 10% (v/v) solution of pyridine and acetic anhydride. The reaction mixture was placed in a preheated oil bath heated to reflux with continuous stirring for 3 hours. After completion of the reaction, it was cooled to room temperature and concentrated under reduced pressure. The resulting oil was azeotropized twice with 95% ethanol (300 mL) and water (300 mL) and subsequently treated with solid potassium carbonate (12.9 g, 93.6 mmol). Concentrated under reduced pressure to remove ethanol, the remaining aqueous layer was diluted to redissolve the solid and then extracted with ether (2 x 150 mL). The organic phases were combined, dried over magnesium sulfate, and filtered. The filtrate was concentrated under reduced pressure to afford 4-oxo-1,1-cyclohexanedicarboxylic acid 1,1-diethyl ester (11.82 g, 48.8 mmol, 62.9% yield) as an amber-colored oil.HPLC analysis showed a retention time of 2.00 min (AP 74%); 1H NMR (500 MHz, CDCl3) δ ppm 4.24 (4H, q, J = 7.12 Hz), 2.44 (4H, t, J=6.56 Hz), 2.37 (4H, t, J=6.41 Hz), 1.27 (6H, t, J=7.17 Hz).
References
[1] Synthetic Communications, 1984, vol. 14, # 5, p. 401 - 406
[2] Patent: WO2012/78834, 2012, A1. Location in patent: Page/Page column 64-65
[3] Tetrahedron, 1958, vol. 3, p. 175
[4] Journal of Organic Chemistry, 1955, vol. 20, p. 1702,1707
DIETHYL 4-OXOCYCLOHEXANE-1,1-DICARBOXYLATE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from DIETHYL 4-OXOCYCLOHEXANE-1,1-DICARBOXYLATE manufacturers
- Product
- 4-Oxo-1,1-cyclohexanedicarboxylic acid 1,1-diethyl ester 55704-60-4
- Price
- US $2.20-8.80/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 50kg
- Release date
- 2025-06-24
- Product
- Diethyl 4-oxocyclohexane-1,1-dicarboxylate 55704-60-4
- Price
- US $0.00/KG
- Min. Order
- 25KG
- Purity
- ≥95%
- Supply Ability
- Inquiry
- Release date
- 2022-09-16