Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate

Modify Date: 2025-08-27 09:12:50

Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate Structure
Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate structure
Common Name Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate
CAS Number 3044-56-2 Molecular Weight 282.289
Density 1.1±0.1 g/cm3 Boiling Point 374.9±37.0 °C at 760 mmHg
Molecular Formula C14H18O6 Melting Point 88-91 °C(lit.)
MSDS Chinese USA Flash Point 163.8±26.5 °C

 Names

Name ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 374.9±37.0 °C at 760 mmHg
Melting Point 88-91 °C(lit.)
Molecular Formula C14H18O6
Molecular Weight 282.289
Flash Point 163.8±26.5 °C
Exact Mass 282.110352
PSA 71.06000
LogP 1.99
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.497
InChIKey VEYNISLTHXQSGU-UHFFFAOYSA-N
SMILES CCOC(=O)CC(=O)c1cc(OC)c(OC)c(OC)c1

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi: Irritant;
Safety Phrases S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2918990090

 Synthetic Route

~67%

Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:3044-56-2

Literature: Chen, Yi-Fong; Lin, Yi-Chien; Huang, Po-Kai; Chan, Hsu-Chin; Kuo, Sheng-Chu; Lee, Kuo-Hsiung; Huang, Li-Jiau Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 17 p. 5064 - 5075

~87%

Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:3044-56-2

Literature: Jeyakumar, Kandasamy; Chand, Dillip Kumar Synthesis, 2008 , # 11 p. 1685 - 1687

~78%

Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:3044-56-2

Literature: Li, Yao-Wu; Liu, Jia; Liu, Na; Shi, Duo; Zhou, Xiao-Tian; Lv, Jia-Guo; Zhu, Ju; Zheng, Can-Hui; Zhou, You-Jun Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 11 p. 3579 - 3584

~%

Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:3044-56-2

Literature: Journal of the American Chemical Society, , vol. 74, p. 2923

~49%

Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:3044-56-2

Literature: Zhu, Youquan; Zou, Xiaomao; Hu, Fangzhong; Yao, Changsheng; Liu, Bin; Yang, Huazheng Journal of Agricultural and Food Chemistry, 2005 , vol. 53, # 24 p. 9566 - 9570

~%

Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:3044-56-2

Literature: Bioorganic and Medicinal Chemistry, , vol. 19, # 11 p. 3579 - 3584

~%

Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:3044-56-2

Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2> 112, p. 271

~%

Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:3044-56-2

Literature: Acta Phytochimica, , vol. 8, p. 65,81

 Customs

HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Articles2

More Articles
Ethyl 3, 4, 5-Trimethoxybenzoylacetate. Anderson Jr AG and Greef HF.

J. Am. Chem. Soc. 74(11) , 2923-2923., (1952)

Yaws CL.

Thermophysical Properties of Chemicals and Hydrocarbons 2nd ed.,, (2014), 327

 Bioassay

View more

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: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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 Synonyms

ethyl 3-oxo-3-(3,4,5-trimethoxy-phenyl)-propanoate
Benzenepropanoic acid, 3,4,5-trimethoxy-β-oxo-, ethyl ester
Ethyl 3,4,5-trimethoxybenzoylacetate
EINECS 221-251-4
Butyric 3,4,5-trimethoxybenzoic anhydride
ethyl trimethoxybenzoyl acetate
3.4.5-Trimethoxy-benzoylessigsaeure-aethylester
Trimethylgalloylessigsaeure-aethylester
Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate
MFCD08063959
3-Oxo-3-(3,4,5-trimethoxy-phenyl)-propionic acid ethyl ester
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