Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester

Modify Date: 2024-01-09 08:51:42

Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester Structure
Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester structure
Common Name Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester
CAS Number 52313-46-9 Molecular Weight 248.27400
Density 1.123g/cm3 Boiling Point 392ºC at 760mmHg
Molecular Formula C14H16O4 Melting Point N/A
MSDS N/A Flash Point 173.8ºC

 Names

Name ethyl 2-acetyl-4-oxo-4-phenylbutanoate

 Chemical & Physical Properties

Density 1.123g/cm3
Boiling Point 392ºC at 760mmHg
Molecular Formula C14H16O4
Molecular Weight 248.27400
Flash Point 173.8ºC
Exact Mass 248.10500
PSA 60.44000
LogP 2.02770
Index of Refraction 1.507

 Safety Information

HS Code 2918300090

 Synthetic Route

~99%

Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester Structure

Benzenebutanoic...

CAS#:52313-46-9

Literature: Krizaj, David; Prestwich, Glenn D.; Barabas, Peter; Xu, Yong; Ryskamp, Daniel Patent: US2013/303539 A1, 2013 ; Location in patent: Paragraph 0131; 0132; 0133 ;

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Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester Structure

Benzenebutanoic...

CAS#:52313-46-9

Literature: Borsche; Fels Chemische Berichte, 1906 , vol. 39, p. 1814

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Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester Structure

Benzenebutanoic...

CAS#:52313-46-9

Literature: TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: WO2006/82952 A1, 2006 ; Location in patent: Page/Page column 177 ;

~78%

Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester Structure

Benzenebutanoic...

CAS#:52313-46-9

Literature: Mackay, Donald; Dao, Le H.; Dust, Julian M. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980 , p. 2408 - 2416

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Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester Structure

Benzenebutanoic...

CAS#:52313-46-9

Literature: Vladimirova, Stanislava; Bijev, Atanas Heterocyclic Communications, 2014 , vol. 20, # 2 p. 111 - 115

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
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