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Benzenepropanoic acid, β-(2-oxopropyl)-, also known as 3-phenylpropionic acid or hydrocinnamic acid, is an organic compound with the chemical formula C10H10O3. It is a derivative of benzenepropanoic acid, featuring a β-ketovaleryl group attached to the phenyl ring. This colorless crystalline solid is an important intermediate in the synthesis of various pharmaceuticals, fragrances, and other chemicals. It is used in the production of drugs like ibuprofen and naproxen, as well as in the preparation of flavoring agents and perfumes. Hydrocinnamic acid is also found in trace amounts in some plants and is known for its anti-inflammatory and analgesic properties.

6049-47-4

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6049-47-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6049-47-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,0,4 and 9 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 6049-47:
(6*6)+(5*0)+(4*4)+(3*9)+(2*4)+(1*7)=94
94 % 10 = 4
So 6049-47-4 is a valid CAS Registry Number.

6049-47-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (R/S)-5-oxo-3-phenylhexanoic acid

1.2 Other means of identification

Product number -
Other names 5-Oxo-3-phenyl-hexansaeure

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6049-47-4 SDS

6049-47-4Relevant academic research and scientific papers

DBU-Catalyzed Ring-Opening and Retro-Claisen Fragmentation of Dihydropyranones

Axelsson, Anton,Hammarvid, Emmelie,Rahm, Martin,Sundén, Henrik

, p. 5436 - 5444 (2020/08/26)

We present a general protocol for the formal Michael addition of acetone to α,β-unsaturated esters and amides, a transformation difficult to perform using current methods. The protocol comprises of an amidine catalyzed relay ring-opening and fragmentation

β-substituted β-phenylpropionyl chymotrypsins. Structural and stereochemical features in stable acyl enzymes

Reed,Katzenellenbogen

, p. 1162 - 1176 (2007/10/02)

In order to develop effective alternate substrate inhibitors for serine proteases, we have prepared a series of β-substituted β-phenylpropionic acid esters related to some systems known to form stable acyl enzymes with α-chymotrypsin. Some of these compounds were prepared in enantiomerically pure form by asymmetric synthesis. Acyl enzyme species were generated from chymotrypsin by reaction with the active esters, and the progress of deacylation was monitored by the proflavin displacement assay. In some cases, it was possible to distinguish two different deacylation rates that correspond to the two enantiomers. β-Phenylpropionic acyl enzymes with β-substituents that are nonpolar were not especially stable, but a number of the polar derivatives and particularly the acylamino derivatives showed slow rates of deacylation (k(d) less than 0.005 min-1), with three systems showing deacylation enantioselectivities in the range of 500-1500. These results are consistent with a model in which additional stabilization of the acyl enzyme and enantioselectivity in the deacylation process derives from an additional hydrogen bond between the acyl enzyme species (as an acceptor) and the enzyme (as a donor). A number of active site residues that might be involved in this hydrogen bond are discussed.

Process for preparing highly substituted phenyls

-

, (2008/06/13)

A process is described in which a lactone STR1 is reacted with an alkylester X1 --CH2 and an oxidizing or dehydrogenating agent to form the phenol ester STR2

USE OF 1,3-DIOXIN-4-ONES AND THEIR RELATED COMPOUNDS IN SYNTHESIS. 27. NOVEL ASYMMETRIC HETERO-DIELS-ALDER REACTION USING CHIRAL SPIRO 5-METHYLENE-1,3-DIOXANE-4,6-DIONES HAVING 1-MENTHONE AT THE 2-POSITION

Sato, Masayuki,Kano, Kazuya,Kitazawa, Noritaka,Hisamichi, Hiroyuki,Kaneko, Chikara

, p. 1229 - 1232 (2007/10/02)

Diastereofacially selective hetero-Diels-Alder reaction of spiro (E or Z)-5-arylidene-1,3-dioxane-4,6-diones and 2-methoxypropene was studied.The dihydropyrans thus obtained were converted to optically active β-arylated δ-oxohexanoic acids.The diastereofa

Resolution and Determination of the Absolute Stereochemistry of α- and β-Aryl-Substituted γ-Methylenevalerolactones, Alternate Substrate Inhibitors for Serine Proteases

Baek, Du-Jong,Daniels, Scott B.,Reed, Peter E.,Katzenellenbogen, John A.

, p. 3963 - 3972 (2007/10/02)

To study the enantioselectivity of alternate substrate inhibition of chymotrypsin by chiral α- and β-arylsubstituted enol lactones, we have prepared four of these lactones in homochiral form: 3-phenyl-6-methylenetetrahydro-2-pyranone (αPh6H, IIa), 3-(1-na

Enol Lactone Inhibitors of Serine Proteases. The Effect of Regiochemistry on the Inactivation Behavior of Phenyl-Substituted (Halomethylene)tetra- and -dihydrofuranones and (Halomethylene)tetrahydropyranones toward α-Chymotrypsin: Stable Acyl Enzyme Inter

Sofia, Michael J.,Katzenellenbogen, John A.

, p. 230 - 238 (2007/10/02)

We have found that α-aryl-substituted halo enol lactones (I and II) are effective mechanism-based inactivators for chymotrypsin.In this study, we have investigated, for comparative purposes, halo enol lactones with aryl functions situated β and γ to the l

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