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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-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid

OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 Request for Quotation
Chemical Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid
CAS Number: 54557-81-2
Product Number: AG00D9HX(AGN-PC-0KKMSP)
Synonyms:
MDL No:
Molecular Formula: C12H12O5
Molecular Weight: 236.2207

Identification/Properties

Properties
MP:
138 °C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
236.223g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
236.068g/mol
Monoisotopic Mass:
236.068g/mol
Topological Polar Surface Area:
72.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
301
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:
Danger
UN#:
1759
Hazard Statements:
H314-H318
Precautionary Statements:
P260-P264-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501
Class:
8
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxobutanoic acid, a versatile compound in chemical synthesis, serves as a valuable building block for the preparation of various bioactive molecules and pharmaceuticals. Its unique structure containing a fused benzodioxin ring system offers opportunities for modification and derivatization to tune its chemical and biological properties. In organic synthesis, this compound can be utilized as a key intermediate in the construction of complex molecules with potential therapeutic applications. Its functional groups enable facile manipulation through various synthetic strategies, allowing for the efficient formation of diverse chemical entities. By incorporating 4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxobutanoic acid into synthetic routes, chemists can access novel compounds with tailored functionalities, paving the way for advancements in drug discovery and material science.