3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester

Modify Date: 2025-08-26 12:04:44

3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester Structure
3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester structure
Common Name 3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester
CAS Number 81581-27-3 Molecular Weight 236.22100
Density 1.275g/cm3 Boiling Point 358.8ºC at 760 mmHg
Molecular Formula C12H12O5 Melting Point N/A
MSDS N/A Flash Point 197.3ºC

 Names

Name Ethyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.275g/cm3
Boiling Point 358.8ºC at 760 mmHg
Molecular Formula C12H12O5
Molecular Weight 236.22100
Flash Point 197.3ºC
Exact Mass 236.06800
PSA 61.83000
LogP 1.55120
Index of Refraction 1.54
InChIKey UGSBCTHYWAADNY-UHFFFAOYSA-N
SMILES CCOC(=O)CC(=O)c1ccc2c(c1)OCO2

 Safety Information

Hazard Codes Xi
HS Code 2932999099

 Synthetic Route

~80%

3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester Structure

3-Benzo[1,3]dio...

CAS#:81581-27-3

Literature: Pandey, Rajesh K.; Deshmukh, Anis N.; Kumar, Pradeep Synthetic Communications, 2004 , vol. 34, # 6 p. 1117 - 1123

~80%

3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester Structure

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CAS#:81581-27-3

Literature: Kafle, Bhooshan; Aher, Nilkanth G.; Khadka, Deegendra; Park, Hwangseo; Cho, Hyeongjin Chemistry - An Asian Journal, 2011 , vol. 6, # 8 p. 2073 - 2079

~69%

3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester Structure

3-Benzo[1,3]dio...

CAS#:81581-27-3

Literature: Pelter, Andrew; Ward, Robert S.; Watson, Derrick J.; Jack, Ibiba R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1982 , p. 183 - 190

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3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester Structure

3-Benzo[1,3]dio...

CAS#:81581-27-3

Literature: Journal of the American Chemical Society, , vol. 51, p. 1269 Journal fuer Praktische Chemie (Leipzig), vol. <2> 166, p. 322

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3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester Structure

3-Benzo[1,3]dio...

CAS#:81581-27-3

Literature: Chemistry - An Asian Journal, , vol. 6, # 8 p. 2073 - 2079

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3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester Structure

3-Benzo[1,3]dio...

CAS#:81581-27-3

Literature: Journal of Chemical Research - Part S, , # 3 p. 136 - 137

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3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester Structure

3-Benzo[1,3]dio...

CAS#:81581-27-3

Literature: Journal of Chemical Research - Part S, , # 3 p. 136 - 137

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3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester Structure

3-Benzo[1,3]dio...

CAS#:81581-27-3

Literature: Yakugaku Zasshi, , vol. 73, p. 681,684 Chem.Abstr., , p. 8788 Chemische Berichte, , vol. 72, p. 830,836 Acta Phytochimica, , vol. 7, p. 117,138 Acta Phytochimica, , vol. 8, p. 65,93

~%

3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester Structure

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CAS#:81581-27-3

Literature: Heterocycles, , vol. 25, p. 409 - 418

 Customs

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

ethyl 3-(1,3-benzodioxol-5-yl)-3-oxopropanoate
MFCD01463468
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