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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)-

trans-Methyl 4-(4-fluorophenyl)pyrrolidine-3-carboxylate

COC(=O)[C@@H]1CNC[C@H]1c1ccc(cc1)F Request for Quotation
Chemical Name: trans-Methyl 4-(4-fluorophenyl)pyrrolidine-3-carboxylate
CAS Number: 939758-13-1
Product Number: AG00H0I4(AGN-PC-0WAI4M)
Synonyms:
MDL No:
Molecular Formula: C12H14FNO2
Molecular Weight: 223.2435

Identification/Properties

Computed Properties
Molecular Weight:
223.247g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
223.101g/mol
Monoisotopic Mass:
223.101g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
251
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:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound, Methyl 4-(4-fluorophenyl)pyrrolidine-3-carboxylate, plays a significant role in chemical synthesis as a versatile building block. Its unique structure and functional groups make it a valuable intermediate in the creation of various pharmaceuticals, agrochemicals, and fine chemicals.In chemical synthesis, Methyl 4-(4-fluorophenyl)pyrrolidine-3-carboxylate is commonly utilized as a key starting material for the preparation of complex molecules. Its pyrrolidine ring provides structural rigidity and stereochemical control, making it ideal for constructing chiral compounds. Additionally, the presence of the carboxylate ester moiety allows for further functionalization through various chemical reactions such as esterifications, amidations, and hydrogenations.The compound's fluorophenyl group can serve as a handle for selective derivatization, enabling the introduction of additional substituents or functional groups to tailor the molecule's properties. This versatility makes Methyl 4-(4-fluorophenyl)pyrrolidine-3-carboxylate a valuable tool in the synthesis of diverse organic compounds with specific applications in medicinal chemistry, material science, and other fields requiring precise molecular design.