structure of tert-Butyl (2-amino-4,5-difluorophenyl)carbamate

tert-Butyl (2-amino-4,5-difluorophenyl)carbamate

CAS No.: 1000698-88-3
M. Wt: 244.23800
M. Fa: C11H14F2N2O2
InChI Key: NYKTXVPUGXBLOK-UHFFFAOYSA-N
Appearance: Gray Solid

Names and Identifiers of 1000698-88-3

CAS Number

1000698-88-3

MDL Number

MFCD12913719

IUPAC Name

tert-butyl N-(2-amino-4,5-difluorophenyl)carbamate

InChI

InChI=1S/C11H14F2N2O2/c1-11(2,3)17-10(16)15-9-5-7(13)6(12)4-8(9)14/h4-5H,14H2,1-3H3,(H,15,16)

InChIKey

NYKTXVPUGXBLOK-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)NC1=CC(=C(C=C1N)F)F

UNSPSC Code

12352100

Physical and chemical properties of 1000698-88-3

Boiling Point

280.9±40.0°C at 760 mmHg

Exact Mass

244.10200

LogP

3.54820

Molecular Formula

C11H14F2N2O2

Molecular Weight

244.23800

PSA

64.35000

Storage condition

Keep in dark place,Inert atmosphere,Room temperature

Safety Information of 1000698-88-3

Pictograms

Signal Word

 Warning

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

Applications of 1000698-88-3

tert-Butyl (2-amino-4,5-difluorophenyl)carbamate has potential applications in:

  • Medicinal Chemistry: As an intermediate for synthesizing pharmaceuticals or biologically active compounds.
  • Organic Synthesis: In glycosylation reactions to create complex molecules.
  • Research: As a reference standard in pharmaceutical testing due to its defined structure and properties.

Physical sample testing spectrum (NMR) of 1000698-88-3

Physical sample testing spectrum (NMR) of 1000698-88-3

Retrosynthesis analysis of 1000698-88-3

  • Route#1

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