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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)-

4-chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid

CCCCCc1ccc(cc1)/C=C/C(=O)Nc1cc(Cl)ccc1C(=O)O Request for Quotation
Chemical Name: 4-chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid
CAS Number: 99754-06-0
Product Number: AG01CBWS(AGN-PC-0JLNR9)
Synonyms:
MDL No:
Molecular Formula: C21H22ClNO3
Molecular Weight: 371.8573

Identification/Properties

Properties
MP:
174-176°C
Form:
Solid
Computed Properties
Molecular Weight:
371.861g/mol
XLogP3:
6.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
371.129g/mol
Monoisotopic Mass:
371.129g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
486
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Danger
UN#:
3077
Hazard Statements:
H410
Precautionary Statements:
P273
Class:
9
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Chloro-2-(3-(4-pentylphenyl)acrylamido)benzoic acid, commonly referred to as $name$, serves as a versatile reagent in chemical synthesis due to its unique structural properties. This compound is widely utilized in the organic synthesis of various compounds, particularly in the pharmaceutical and agrochemical industries.One of the key applications of 4-Chloro-2-(3-(4-pentylphenyl)acrylamido)benzoic acid is as a building block in the synthesis of novel drug candidates. Its functional groups enable the modification and introduction of specific chemical moieties, contributing to the development of potential therapeutic agents. Furthermore, the presence of the chloro group allows for further derivatization, enhancing the compound's pharmacological properties.Additionally, this compound plays a crucial role in the preparation of complex organic molecules through multistep synthesis pathways. Its acrylamide functionality provides an avenue for the formation of conjugated systems, which are vital in the design of organic materials with unique electronic properties.Moreover, the incorporation of 4-Chloro-2-(3-(4-pentylphenyl)acrylamido)benzoic acid in chemical synthesis facilitates the creation of functional materials for various applications, including optoelectronics, sensors, and catalysis. Its structural diversity and reactivity make it a valuable tool for the construction of advanced molecular architectures with tailored properties.Overall, the versatility and synthetic utility of 4-Chloro-2-(3-(4-pentylphenyl)acrylamido)benzoic acid make it a valuable component in the toolkit of organic chemists, enabling the efficient and strategic synthesis of complex molecules for diverse applications.