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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)-

1,4-Cyclohexanedicarboxylic acid, dimethyl ester, trans-

COC(=O)[C@@H]1CC[C@H](CC1)C(=O)OC Request for Quotation
Chemical Name: 1,4-Cyclohexanedicarboxylic acid, dimethyl ester, trans-
CAS Number: 3399-22-2
Product Number: AG0034RE(AGN-PC-0O939Q)
Synonyms:
MDL No:
Molecular Formula: C10H16O4
Molecular Weight: 200.2316

Identification/Properties

Properties
MP:
67-69 °C(lit.)
BP:
263.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4560 (589.3 nm 31℃)
Computed Properties
Molecular Weight:
200.234g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
200.105g/mol
Monoisotopic Mass:
200.105g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
192
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:
H315-H412
Precautionary Statements:
P273
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Dimethyl trans-1,4-cyclohexanedicarboxylate is a versatile compound widely utilized in chemical synthesis for its unique properties and functional groups. This compound serves as a key building block in organic chemistry reactions, particularly in the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals.Its trans-configuration imparts specific stereochemical properties that are crucial for the design and creation of complex molecular structures. Dimethyl trans-1,4-cyclohexanedicarboxylate is commonly employed in the formation of esters, amides, and other functionalized derivatives through traditional organic transformations such as esterification, amidation, and hydrogenation.Furthermore, this compound can participate in Diels-Alder reactions, forming cyclohexene derivatives that are valuable intermediates in the synthesis of natural products and biologically active compounds. The two carboxylate groups enhance its reactivity and enable it to serve as a bridging moiety in the construction of more intricate molecules.In summary, Dimethyl trans-1,4-cyclohexanedicarboxylate is a crucial component in the toolkit of synthetic chemists, offering a wide range of applications in the efficient and controlled assembly of organic molecules.