structure of Methyl 3-bromocyclopentanecarboxylate

Methyl 3-bromocyclopentanecarboxylate

CAS No.: 1311312-00-1
M. Wt: 207.06500
M. Fa: C7H11BrO2
InChI Key: NBNSTTSIQITBMQ-UHFFFAOYSA-N

Names and Identifiers of Methyl 3-bromocyclopentanecarboxylate

CAS Number

1311312-00-1

MDL Number

MFCD00092316

IUPAC Name

methyl 3-bromocyclopentane-1-carboxylate

InChI

InChI=1S/C7H11BrO2/c1-10-7(9)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3

InChIKey

NBNSTTSIQITBMQ-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1CCC(C1)Br

UNSPSC Code

12352100

Physical and chemical properties of Methyl 3-bromocyclopentanecarboxylate

Exact Mass

205.99400

LogP

1.72300

Molecular Formula

C7H11BrO2

Molecular Weight

207.06500

PSA

26.30000

Safety Information of Methyl 3-bromocyclopentanecarboxylate

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of Methyl 3-bromocyclopentanecarboxylate

Methyl 3-bromocyclopentanecarboxylate serves as an important intermediate in organic synthesis. It is particularly valuable in:

  • Pharmaceutical Development: Used in the synthesis of sphingosine-1-phosphate receptor agonists and other bioactive compounds.
  • Chemical Research: Employed in various chemical transformations due to its reactive functional groups.

Interaction Studies of Methyl 3-bromocyclopentanecarboxylate

Interaction studies involving methyl 3-bromocyclopentanecarboxylate primarily focus on its reactivity with nucleophiles and other electrophiles. The bromomethyl group acts as a leaving group, facilitating nucleophilic attack and leading to the formation of new carbon-nitrogen or carbon-sulfur bonds. These interactions are critical for developing new compounds with potential therapeutic applications.

Biological Activity of Methyl 3-bromocyclopentanecarboxylate

While specific biological activities of methyl 3-bromocyclopentanecarboxylate are not extensively documented, its derivatives and related compounds are known to exhibit significant biological properties. For instance, compounds derived from similar structures have been explored for their roles as receptor agonists, particularly in pharmacological studies targeting sphingosine-1-phosphate receptors. Further research may reveal more about its potential biological implications.