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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[2.2.2]octane-1-carboxylic acid, 4-(hydroxymethyl)-, methyl ester

OCC12CCC(CC1)(CC2)C(=O)OC Request for Quotation
Chemical Name: Bicyclo[2.2.2]octane-1-carboxylic acid, 4-(hydroxymethyl)-, methyl ester
CAS Number: 94994-15-7
Product Number: AG005TL5(AGN-PC-07ZXEB)
Synonyms:
MDL No:
Molecular Formula: C11H18O3
Molecular Weight: 198.2588

Identification/Properties

Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
198.262g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
198.126g/mol
Monoisotopic Mass:
198.126g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
222
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate is a versatile compound widely used in chemical synthesis. Its unique structure and reactivity make it a valuable building block in the creation of various organic molecules. In particular, this compound is commonly employed in the synthesis of complex pharmaceutical compounds, agrochemicals, and specialty chemicals. Its bicyclic framework provides stability and rigidity to the molecules being synthesized, making it a preferred choice for applications requiring structural integrity. Additionally, the hydroxymethyl group attached to the bicyclic ring offers sites for selective functionalization, allowing chemists to tailor the molecule for specific purposes. Overall, Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate plays a crucial role in the development of new and innovative chemical entities through strategic synthetic manipulations.