4-(4-METHOXY-3-METHYL-PHENYL)-4-OXO-BUTYRIC ACID

Modify Date: 2025-08-25 22:24:52

4-(4-METHOXY-3-METHYL-PHENYL)-4-OXO-BUTYRIC ACID Structure
4-(4-METHOXY-3-METHYL-PHENYL)-4-OXO-BUTYRIC ACID structure
Common Name 4-(4-METHOXY-3-METHYL-PHENYL)-4-OXO-BUTYRIC ACID
CAS Number 33446-14-9 Molecular Weight 222.23700
Density 1.176g/cm3 Boiling Point 431ºC at 760 mmHg
Molecular Formula C12H14O4 Melting Point N/A
MSDS N/A Flash Point 168.5ºC

 Names

Name 4-(4-methoxy-3-methylphenyl)-4-oxobutanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.176g/cm3
Boiling Point 431ºC at 760 mmHg
Molecular Formula C12H14O4
Molecular Weight 222.23700
Flash Point 168.5ºC
Exact Mass 222.08900
PSA 63.60000
LogP 2.05110
Index of Refraction 1.532
InChIKey WNNVNQBKNSPKPP-UHFFFAOYSA-N
SMILES COc1ccc(C(=O)CCC(=O)O)cc1C

 Safety Information

Hazard Codes Xi
HS Code 2918990090

 Synthetic Route

~94%

4-(4-METHOXY-3-METHYL-PHENYL)-4-OXO-BUTYRIC ACID Structure

4-(4-METHOXY-3-...

CAS#:33446-14-9

Literature: Bohlmann, Ferdinand; Giencke, Wolfgang Tetrahedron, 1983 , vol. 39, # 3 p. 443 - 448

~76%

4-(4-METHOXY-3-METHYL-PHENYL)-4-OXO-BUTYRIC ACID Structure

4-(4-METHOXY-3-...

CAS#:33446-14-9

Literature: Allergan, Inc. Patent: US6613917 B1, 2003 ;

~%

4-(4-METHOXY-3-METHYL-PHENYL)-4-OXO-BUTYRIC ACID Structure

4-(4-METHOXY-3-...

CAS#:33446-14-9

Literature: Yoshimura; Nagai; Hibi; Kikuchi; Abe; Hida; Higashi; Yamanaka Journal of Medicinal Chemistry, 1995 , vol. 38, # 16 p. 3163 - 3173

~%

4-(4-METHOXY-3-METHYL-PHENYL)-4-OXO-BUTYRIC ACID Structure

4-(4-METHOXY-3-...

CAS#:33446-14-9

Literature: Yoshimura; Nagai; Hibi; Kikuchi; Abe; Hida; Higashi; Yamanaka Journal of Medicinal Chemistry, 1995 , vol. 38, # 16 p. 3163 - 3173

 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%

 Bioassay

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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: ULK1_INH_LUMI_1536_1X%INH PRUN
Name: Cell-based high throughput primary assay to identify activators of GPR151
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_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

3-(4-Methoxy-3-methylbenzoyl)propionic acid
4-(4-Methoxy-3-methyl-phenyl)-4-oxo-buttersaeure
4-(4-methoxy-3-methyl-phenyl)-4-oxo-butyric acid
4-(4-methoxy-3-methylphenyl)-4-oxo-butanoic acid
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