diethyl 2-benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate

Modify Date: 2025-09-29 09:40:58

diethyl 2-benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate Structure
diethyl 2-benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate structure
Common Name diethyl 2-benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate
CAS Number 6286-69-7 Molecular Weight 392.40000
Density 1.299g/cm3 Boiling Point 525.9ºC at 760 mmHg
Molecular Formula C20H24O8 Melting Point N/A
MSDS N/A Flash Point 181.7ºC

 Names

Name diethyl 2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.299g/cm3
Boiling Point 525.9ºC at 760 mmHg
Molecular Formula C20H24O8
Molecular Weight 392.40000
Flash Point 181.7ºC
Exact Mass 392.14700
PSA 108.36000
LogP 1.58130
Index of Refraction 1.547
InChIKey HSXXKYCRIUTPKT-UHFFFAOYSA-N
SMILES CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc2c(c1)OCO2

 Synthetic Route

~84%

diethyl 2-benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate Structure

diethyl 2-benzo...

CAS#:6286-69-7

Literature: Brown; Dhal; Papin Tetrahedron, 1995 , vol. 51, # 47 p. 13061 - 13072

~%

diethyl 2-benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate Structure

diethyl 2-benzo...

CAS#:6286-69-7

Literature: Walker Journal of the American Chemical Society, 1955 , vol. 77, p. 3664,3666

 Bioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: GPR151 activator identification: cell-based high-throughput counter-screen assay
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Glucose-dependent insulinotropic receptor; AltName: Full=G-protein coupled receptor 119
External Id: GPR119_PHUNTER_AG_LUMI_1536_3X%ACT CSRUN1
Name: GPR151 activator identification: cell-based high-throughput confirmation assay
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_3X%ACT CRUN1
Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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 Synonyms

diethyl 2-(benzo[d][1,3]dioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
2,4-diethoxycarbonyl-5-hydroxy-5-methyl-3-(3,4-methylenedioxyphenyl)cyclohexan-1-one
2-benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylic acid diethyl ester
2-Benzo[1,3]dioxol-5-yl-4-hydroxy-4-methyl-6-oxo-cyclohexan-1,3-dicarbonsaeure-diaethylester
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