Cyclohexanecarboxylic acid, 1-hydroxy-, ethyl ester
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Cyclohexanecarboxylic acid, 1-hydroxy-, ethyl ester
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CAS No:
1127-01-1
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Formula:
C9H16O3
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Chemical Name:
Cyclohexanecarboxylic acid, 1-hydroxy-, ethyl ester
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Synonyms:
Cyclohexanecarboxylic acid,1-hydroxy-,ethyl ester;Ethyl 1-hydroxycyclohexanecarboxylate;1-Hydroxycyclohexanecarboxylic acid ethyl ester;NSC 7384
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CAS No:
Cyclohexanecarboxylic acid, 1-hydroxy-, ethyl ester Basic Attributes
172.22
172.22
446-570-8
2PZL293290
7384
DTXSID3041952
Safety Information
P273, P501
H412
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 57 companies from 2 notifications to the ECHA C&L Inventory.|Aggregated GHS information provided by 98 companies from 1 notifications to the ECHA C&L Inventory.
Cyclohexanecarboxylic acid, 1-hydroxy-, ethyl ester Use and Manufacturing
1. Preparation of Hexylester: with Modification (Column 125) 0.1 mol of Specific operation: 10 mmol of B, 15 mmol of potassium carbonate, 15 mL of acetonitrile added to the single-mouth bottle, in the ice water bath, Constant pressure low liquid funnel drop with 10 mL of acetonitrile diluted J, to maintain the temperature at 0 ± 5 , After the addition of 20 ± 5 reaction, TLC to detect the reaction process, the reaction is completed after the removal of solvent acetonitrile, add 15 mL of water to wash, filter, dried product K, the product can be used directly for the next step.Adding the hydroxycyclohexanoate prepared in the second step to the reaction flask, Aprotic organic solvents and catalysts, a mixed solution of 2, 4-dichlorophenylacetyl chloride and an aprotic organic solvent is added dropwise at 20 to 30 C.After the completion of the dropwise addition, the temperature is raised and refluxed for at least 12 hours.After the reaction is finished, it is cooled to room temperatureAllow to stand for at least 30 minutes, filter, The filtrate is distilled under reduced pressure to recover an aprotic organic solvent.Obtaining crude phenylhexyl benzoate, Then, the crude cyclohexyl phenylacetate is dissolved in N, N-dimethylacetamide to obtain a mixed solution.stand-by;
Computed Properties
Molecular Weight:172.22
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:172.109944368
Monoisotopic Mass:172.109944368
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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