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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzenepropanoic acid, 4-chloro-b-oxo-, methyl ester

COC(=O)CC(=O)c1ccc(cc1)Cl Request for Quotation
Chemical Name: Benzenepropanoic acid, 4-chloro-b-oxo-, methyl ester
CAS Number: 22027-53-8
Product Number: AG003RIL(AGN-PC-0QYKMA)
Synonyms:
MDL No:
Molecular Formula: C10H9ClO3
Molecular Weight: 212.6297

Identification/Properties

Properties
MP:
42-46°C(lit.);
BP:
100-106°C 0,2mm
Storage:
Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
212.629g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
212.024g/mol
Monoisotopic Mass:
212.024g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
219
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 3-(4-chlorophenyl)-3-oxopropanoate is a versatile compound commonly used in chemical synthesis for its unique properties and reactivity. This compound serves as a key building block in organic synthesis, particularly in the formation of complex molecules and pharmaceutical intermediates. Due to its specific structure and functional groups, Methyl 3-(4-chlorophenyl)-3-oxopropanoate can undergo various reactions such as nucleophilic additions, esterifications, and condensations, making it a valuable tool for synthetic chemists. Its ability to participate in diverse transformations allows for the creation of novel compounds with tailored functionalities and potential biological activities. In the field of medicinal chemistry, Methyl 3-(4-chlorophenyl)-3-oxopropanoate plays a crucial role in the development of new drug candidates and the study of structure-activity relationships. Additionally, its presence in the synthesis of agrochemicals and materials contributes to advancements in various industries. This compound's utility in chemical synthesis highlights its importance as a foundational component for the creation of diverse organic molecules with potential applications in a range of scientific disciplines.