structure of tert-Butyl (4-bromothiazol-2-yl)(methyl)carbamate

tert-Butyl (4-bromothiazol-2-yl)(methyl)carbamate

CAS No.: 1000576-79-3
M. Wt: 293.181
M. Fa: C9H13BrN2O2S
InChI Key: BDDLXGFSUQQZHA-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1000576-79-3

CAS Number

1000576-79-3

MDL Number

MFCD09878588

IUPAC Name

tert-butyl N-(4-bromo-1,3-thiazol-2-yl)-N-methylcarbamate

InChI

InChI=1S/C9H13BrN2O2S/c1-9(2,3)14-8(13)12(4)7-11-6(10)5-15-7/h5H,1-4H3

InChIKey

BDDLXGFSUQQZHA-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N(C)C1=NC(=CS1)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000576-79-3

Boiling Point

319.6±34.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

291.988098

Flash Point

147.1±25.7 °C

H Bond Acceptors

3

H Bond Donors

0

Index of Refraction

1.578

LogP

2.61

Molecular Formula

C9H13BrN2O2S

Molecular Weight

293.181

Storage condition

2-8°C

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1000576-79-3

Pictograms

Signal Word

 Warning

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

Applications of 1000576-79-3

Tert-butyl (4-bromothiazol-2-yl)(methyl)carbamate has several applications:

  • Pharmaceutical Industry: Its potential as an antimicrobial agent makes it useful in drug development.
  • Research: It serves as a valuable intermediate for synthesizing other biologically active compounds.
  • Agricultural Chemicals: Due to its biological activity, it may find applications in developing agrochemicals aimed at pest control.

Interaction Studies of 1000576-79-3

Interaction studies involving tert-butyl (4-bromothiazol-2-yl)(methyl)carbamate have focused on its binding affinity with various biological targets. Preliminary findings suggest that it may interact with specific enzymes or receptors, which could elucidate its mechanism of action. Further studies are required to fully understand these interactions and their implications for drug design.

Biological Activity of 1000576-79-3

Research indicates that tert-butyl (4-bromothiazol-2-yl)(methyl)carbamate exhibits significant biological activities. It has been studied for its potential as an antimicrobial agent and has shown inhibitory effects against various bacterial strains. Additionally, its thiazole moiety is known for contributing to biological activity, making it a candidate for further pharmacological studies.

Physical sample testing spectrum (NMR) of 1000576-79-3

Physical sample testing spectrum (NMR) of 1000576-79-3