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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)-

1,3-Dioxolane-4-carboxylic acid, 2,2,5-trimethyl-, methyl ester, trans-

COC(=O)[C@@H]1OC(O[C@H]1C)(C)C Request for Quotation
Chemical Name: 1,3-Dioxolane-4-carboxylic acid, 2,2,5-trimethyl-, methyl ester, trans-
CAS Number: 78086-72-3
Product Number: AG00G263(AGN-PC-0OI3WS)
Synonyms:
MDL No:
Molecular Formula: C8H14O4
Molecular Weight: 174.1944

Identification/Properties

Computed Properties
Molecular Weight:
174.196g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
174.089g/mol
Monoisotopic Mass:
174.089g/mol
Topological Polar Surface Area:
44.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
188
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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#:
1993
Hazard Statements:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


(4R,5S)-Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate is a versatile compound that finds its application in various processes within chemical synthesis. This chiral compound plays a crucial role in the creation and modification of pharmaceutical intermediates due to its stereochemical properties. In asymmetric synthesis, it serves as a key building block for the preparation of complex organic molecules, particularly in the development of chiral drugs and biologically active compounds. Its unique configuration allows for the selective formation of specific enantiomers, aiding in the production of enantiopure substances. Additionally, (4R,5S)-Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate can be utilized in the synthesis of fragrance compounds, agrochemicals, and other specialty chemicals where stereochemistry plays a critical role in defining the product's properties and activities. This compound's robust reactivity and ability to impart chirality make it an indispensable tool for chemists seeking to design and produce complex molecular structures with high precision and efficiency.