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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)-

Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, dimethyl ester

COC(=O)C12CC(C1)(C2)C(=O)OC Request for Quotation
Chemical Name: Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, dimethyl ester
CAS Number: 115913-32-1
Product Number: AG000H3K(AGN-PC-000D64)
Synonyms:
MDL No:
Molecular Formula: C9H12O4
Molecular Weight: 184.1892

Identification/Properties

Computed Properties
Molecular Weight:
184.191g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
184.074g/mol
Monoisotopic Mass:
184.074g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
227
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate serves as a versatile building block in chemical synthesis due to its unique molecular structure. This compound is often employed as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. With its compact and rigid bicyclic framework, it offers opportunities for the construction of complex molecular architectures with specific stereochemistry and functionality. In addition, the strained bicyclic system of Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate can act as a valuable synthetic handle for producing bioactive compounds and natural product derivatives. Its use in multistep organic transformations allows chemists to access diverse chemical space and explore novel molecular structures with potential biological activity.