structure of Methyl 2-amino-5-bromo-4-isopropylbenzoate

Methyl 2-amino-5-bromo-4-isopropylbenzoate

CAS No.: 1000018-13-2
M. Wt: 272.138
M. Fa: C11H14BrNO2
InChI Key: DXRFEGRLPOBRKX-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000018-13-2

CAS Number

1000018-13-2

MDL Number

MFCD09864815

IUPAC Name

methyl 2-amino-5-bromo-4-propan-2-ylbenzoate

InChI

InChI=1S/C11H14BrNO2/c1-6(2)7-5-10(13)8(4-9(7)12)11(14)15-3/h4-6H,13H2,1-3H3

InChIKey

DXRFEGRLPOBRKX-UHFFFAOYSA-N

Canonical SMILES

CC(C)C1=CC(=C(C=C1Br)C(=O)OC)N

UNSPSC Code

12352100

Physical and chemical properties of 1000018-13-2

Boiling Point

335.9±37.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

271.020782

Flash Point

156.9±26.5 °C

Index of Refraction

1.569

LogP

4.40

Melting Point

74-77°C

Molecular Formula

C11H14BrNO2

Molecular Weight

272.138

PSA

52.32000

Storage condition

Keep in dark place,Inert atmosphere,Room temperature

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1000018-13-2

Pictograms

Signal Word

 Warning

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

Applications of 1000018-13-2

Methyl 2-amino-5-bromo-4-isopropylbenzoate has potential applications in:

  • Pharmaceutical Development: Its structural characteristics make it a candidate for developing new drugs targeting bacterial infections or inflammatory diseases.
  • Organic Synthesis: It serves as an intermediate in synthesizing more complex molecules in organic chemistry.
  • Research: It may be utilized in studies exploring structure-activity relationships within medicinal chemistry.

Biological Activity of 1000018-13-2

  • Antimicrobial Properties: Many benzoate derivatives are known for their ability to inhibit bacterial growth.
  • Anti-inflammatory Effects: Some analogs have shown potential in reducing inflammation markers in biological assays.
  • Potential Anticancer Activity: Certain substituted benzoates have been investigated for their effects on cancer cell lines, indicating a possible therapeutic role.

Physical sample testing spectrum (NMR) of 1000018-13-2

Physical sample testing spectrum (NMR) of 1000018-13-2