88805-65-6|Ethyl 3-hydroxy-5-oxocyclohex-3-enecarboxylate| Ambeed

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Quality Control of [ 88805-65-6 ] Purity: 97% SDS Specification

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Product Details of [ 88805-65-6 ]

CAS No. :	88805-65-6
Formula :	C₉H₁₂O₄
M.W :	184.19
SMILES Code :	O=C1C=C(O)CC(C(OCC)=O)C1
MDL No. :	MFCD19441209
InChI Key :	SSXUXPNPVFUMDJ-UHFFFAOYSA-N
Pubchem ID :	10559379

Safety of [ 88805-65-6 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 88805-65-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 88805-65-6 ]

[ 88805-65-6 ] Synthesis Path-Downstream 1~24

1
[ 79-03-8 ]
[ 88805-65-6 ]
[ 1011719-28-0 ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.
[2]Patent: WO2022/97115,2022,A1 .Location in patent: Page/Page column 7-8.

2
[ 98-88-4 ]
[ 88805-65-6 ]
Benzoic acid 5-ethoxycarbonyl-3-oxo-cyclohex-1-enyl ester [ No CAS ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

3
[ 142-61-0 ]
[ 88805-65-6 ]
3-Hexanoyloxy-5-oxo-cyclohex-3-enecarboxylic acid ethyl ester [ No CAS ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

4
[ 814-68-6 ]
[ 88805-65-6 ]
[ 207984-91-6 ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

5
[ 1187-74-2 ]
[ 88805-65-6 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 927 - 930.

6
[ 4023-34-1 ]
[ 88805-65-6 ]
[ 199446-36-1 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 927 - 930.

7
[ 88805-65-6 ]
trinexapac ethyl [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 927 - 930.

8
[ 88805-65-6 ]
[ 552838-72-9 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 927 - 930.

9
[ 88805-65-6 ]
[ 552838-73-0 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 927 - 930.

10
[ 88805-65-6 ]
4-cyclopropanecarbonyl-3-cyclopropanecarbonyloxy-5-oxo-cyclohex-3-enecarboxylic acid ethyl ester [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 927 - 930.

11
[ 88805-65-6 ]
4-cyclopropanecarbonyl-3-(cyclopropanecarbonyl-amino)-5-oxo-cyclohex-3-enecarboxylic acid ethyl ester [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 927 - 930.

12
[ 88805-65-6 ]
1-chloro-2-(1-chloroprop-1-enyl)-5-carboxy-cyclohex-1-en-3-one [ No CAS ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

13
[ 88805-65-6 ]
[ 207984-83-6 ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

14
[ 88805-65-6 ]
[ 156217-00-4 ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

15
[ 88805-65-6 ]
2-(2'-carboxyethyl)-3-hydroxy-5-carboxy-cyclohex-2-en-1-one, 3'-2-lactone [ No CAS ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

16
[ 88805-65-6 ]
2,5-Dioxo-3,4,5,6,7,8-hexahydro-2H-chromene-7-carboxylic acid ethyl ester [ No CAS ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

17
[ 88805-65-6 ]
[ 156216-96-5 ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.
[2]Patent: WO2022/97115,2022,A1 .

18
[ 88805-65-6 ]
2-hexanoyl-5-carboxycyclohexane-1,3-dione [ No CAS ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

19
[ 88805-65-6 ]
5-Oxo-4-propionyl-3-propylsulfanyl-cyclohex-3-enecarboxylic acid [ No CAS ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

20
[ 88805-65-6 ]
1-n-butylamino-2-propionyl-5-carboxy-cyclohex-1-en-3-one [ No CAS ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

21
[ 88805-65-6 ]
2-hexanoyl-5-carboxyethyl-cyclohexane-1,3-dione [ No CAS ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

22
[ 88805-65-6 ]
Ethyl 4-benzoyl-3-hydroxy-5-oxo-3-cyclohexenecarboxylate [ No CAS ]

References: [1]Phytochemistry,1998,vol. 47,p. 679 - 687.

23
[ 4142-98-7 ]
[ 88805-65-6 ]

Yield	Reaction Conditions	Operation in experiment
15.1%	With sodium formate;palladium on activated charcoal; In ethanol; at 30 - 40℃; for 3.0h;	Reference Example 3 Synthesis of ethyl 3-hydroxy-5-oxo-cyclohexa-3-ene carboxylate To an ethanol solution (200 mL) of 3,5-dihydroxybenzoic acid (25 g, 162.2 mmol) was added sulfuric acid (3 mL) and stirred over night at room temperature and then under heating at 65C for 4 days. The reaction liquid was concentrated under reduced pressure and poured into ice water (about 300 mL) while stirring to filter off white crystal, 3,5-dihydroxybenzoic acid ethyl ester (22.8 g, 77.2%). 3,5-Dihydroxybenzoic acid ethyl ester (10 g, 54.89 mmol) was dissolved in ethanol (15 mL), followed by adding sodium formate (4.48 g, 65.87 mmol), replacing inside a reactor with nitrogen at 30C for 15 minutes, adding palladium on carbon (364 mg) and reacting at 30C for 3 hours then at 40C over night. Catalyst was filtered off, followed by neutralization with a 1N HCl solution, concentration under reduced pressure and purification of thus obtained residue with silica gel column chromatography (hexane/ethyl acetate=1/1 to 0/1) to obtain an objective compound (1.53 g, 15.1%). 1H-NMR (200 MHzFT,TMS,CDCl3) 1.26(3H,dt,J=1.8,7.1Hz), 2.66(2H,d,J=2.7Hz), 2.83(1H,dd,J=1.8,6.6Hz), 3.01-3.19(1H,m), 3.32-3.55(1H,m), 4.18(2H,q,J=7.2Hz), 5.51(1H,s), 5.80-6.10(1H,br) MS(ESI) m/z 185 [M+H]+

References: [1]Patent: EP1571148,2005,A1 .Location in patent: Page/Page column 26.

24
[ 123-62-6 ]
[ 88805-65-6 ]
[ 156216-96-5 ]

Yield	Reaction Conditions	Operation in experiment
96.6%	With titanium tetrachloride; at 40℃; for 12.0h;	Add 184 g of 3-hydroxy-5-ethoxycarbonyl-cyclohex-2-en-1-one to a 500 ml three-necked flask, add 130 g of propionic anhydride,Add 0.95 g of titanium tetrachloride, warm to 40C, and react for 12 hours. After the reaction is completed, 60 g of propionic acid is recovered by rotary evaporation.Cool to room temperature, add 5ml of water to the three-necked flask, separate the layers, separate the water layer, freeze the organic phase to 0C, and stir for 3 hours,The precipitated product 3,5-dioxo-4-propionylcyclohexanecarboxylic acid ethyl ester 232 g, yield 96.6%, HPLC content 98.7%.

References: [1]Patent: CN111187163,2020,A .Location in patent: Paragraph 0018; 0034-0042.

Historical Records

Technical Information

• Acyl Group Substitution • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Bouveault-Blanc Reduction • Bucherer-Bergs Reaction • Catalytic Hydrogenation • Clemmensen Reduction • Complex Metal Hydride Reductions • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Ester Cleavage • Fischer Indole Synthesis • Grignard Reaction • Henry Nitroaldol Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Lawesson's Reagent • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Amines • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Amines • Reactions with Organometallic Reagents • Reformatsky Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Stobbe Condensation • Tebbe Olefination • Ugi Reaction • Wittig Reaction • Wolff-Kishner Reduction

Related Functional Groups of
[ 88805-65-6 ]

Esters

A866546 [67174-68-9]

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A720868 [135365-38-7]

Methyl 3-hydroxy-5-oxocyclohex-3-enecarboxylate

Similarity: 0.95

A880666 [66049-43-2]

3-Oxocyclohex-1-en-1-yl cyclohexanecarboxylate

Similarity: 0.92

A519242 [39493-62-4]

Methyl 4-hydroxy-6-methyl-2-oxocyclohex-3-enecarboxylate

Similarity: 0.91

A910478 [27871-89-2]

Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-enecarboxylate

Similarity: 0.88

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CAS No.: 88805-65-6

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