structure of tert-butyl N-[(2,4-dimethoxyphenyl)methyl]carbamate

tert-butyl N-[(2,4-dimethoxyphenyl)methyl]carbamate

CAS No.: 1001181-01-6
M. Wt: 267.32100
M. Fa: C14H21NO4
InChI Key: CJFXJAIZVMXYRB-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 1001181-01-6

CAS Number

1001181-01-6

MDL Number

MFCD21106254

IUPAC Name

tert-butyl N-[(2,4-dimethoxyphenyl)methyl]carbamate

InChI

InChI=1S/C14H21NO4/c1-14(2,3)19-13(16)15-9-10-6-7-11(17-4)8-12(10)18-5/h6-8H,9H2,1-5H3,(H,15,16)

InChIKey

CJFXJAIZVMXYRB-UHFFFAOYSA-N

Canonical SMILES

COC1=CC=C(CNC(=O)OC(C)(C)C)C(OC)=C1

UNSPSC Code

12352100

Physical and chemical properties of 1001181-01-6

Exact Mass

267.14700

H Bond Acceptors

3

H Bond Donors

1

LogP

3.11940

Molecular Formula

C14H21NO4

Molecular Weight

267.32100

PSA

56.79000

Safety Information of 1001181-01-6

Pictograms

Signal Word

 Warning

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

Applications of 1001181-01-6

Tert-butyl N-[(2,4-dimethoxyphenyl)methyl]carbamate finds applications in:

  • Organic Synthesis: As an intermediate for synthesizing more complex organic molecules.
  • Pharmaceutical Development: Potential use in drug formulation due to its biological activity.
  • Agricultural Chemistry: Investigated for use in pesticide formulations owing to its stability and reactivity.

Interaction Studies of 1001181-01-6

Interaction studies involving tert-butyl N-[(2,4-dimethoxyphenyl)methyl]carbamate are necessary to understand its potential biological effects. Preliminary studies suggest that compounds with similar structures may interact with various enzymes or receptors. Further research is required to elucidate the specific interactions and mechanisms of action.

Physical sample testing spectrum (NMR) of 1001181-01-6

Physical sample testing spectrum (NMR) of 1001181-01-6

Retrosynthesis analysis of 1001181-01-6

  • Route#1

    Cas:18278-34-7
    Cas:4248-19-5
    Cas:1001181-01-6