tert-Butyl [3-(1H-indol-1-yl)propyl]carbamate

Base Information

• Chemical Name: tert-Butyl [3-(1H-indol-1-yl)propyl]carbamate
• CAS No.: 243841-08-9
• Molecular Formula: C₁₆H₂₂N₂O₂
• Molecular Weight: 274.363
• DSSTox Substance ID: DTXSID10582064
• Nikkaji Number: J2.381.236C
• Wikidata: Q82473391
• Mol file: 243841-08-9.mol

Synonyms:243841-08-9;TERT-BUTYL 3-(1H-INDOL-1-YL)PROPYLCARBAMATE;tert-Butyl [3-(1H-indol-1-yl)propyl]carbamate;DTXSID10582064;AKOS013100548

Chemical Property of tert-Butyl [3-(1H-indol-1-yl)propyl]carbamate

Chemical Property:

• Boiling Point: 435.6±28.0 °C(Predicted)
• PKA: 12.83±0.46(Predicted)
• PSA: 46.75000
• Density: 1.07±0.1 g/cm3(Predicted)
• LogP: 3.76050
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 274.168127949
• Heavy Atom Count: 20
• Complexity: 325

Purity/Quality:

[3-(1H-Indol-1-yl)propyl]carbamicAcid1,1-DimethylethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCN1C=CC2=CC=CC=C21
• Uses: [3-(1H-Indol-1-yl)propyl]carbamic Acid 1,1-Dimethylethyl Ester, is a building block that can be used in the preparation of indolocarbazoles as Chk1 inhibitors via intramol. oxidative cyclization of bisindolylmaleimides related to GF109203x.

Technology Process of tert-Butyl [3-(1H-indol-1-yl)propyl]carbamate

There total 1 articles about tert-Butyl [3-(1H-indol-1-yl)propyl]carbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

indole (120-72-9) + 3-bromopropylamine tert-butylcarbamate (83948-53-2) → 1,1-dimethylethyl[3-(1H-indol-1-yl)propyl]carbamate (243841-08-9)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1039/b607504e

Reference yield: 84.0%

1,1-dimethylethyl[3-(1H-indol-1-yl)propyl]carbamate (243841-08-9) + methyl iodide (74-88-4) → 1,1-dimethylethyl[3-(1H-indol-1-yl)propyl]methylcarbamate

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 20h;

DOI:10.1039/b607504e

upstream raw materials:

indole

3-bromopropylamine tert-butylcarbamate