N'-tert-butyl-N-propan-2-ylethane-1,2-diamine

Base Information

• Chemical Name: N'-tert-butyl-N-propan-2-ylethane-1,2-diamine
• CAS No.: 90723-11-8
• Molecular Formula: C₉H₂₂N₂
• Molecular Weight: 158.287
• DSSTox Substance ID: DTXSID00428265
• Wikidata: Q82241078
• Mol file: 90723-11-8.mol

Synonyms:90723-11-8;N'-tert-butyl-N-propan-2-ylethane-1,2-diamine;N1-(tert-Butyl)-N2-isopropylethane-1,2-diamine;N-TERT-BUTYL-N'-ISOPROPYL ETHYLENEDIAMINE;SCHEMBL13768688;DTXSID00428265;N1-tert-butyl-N2-isopropylethane-1,2-diamine;A916533

Chemical Property of N'-tert-butyl-N-propan-2-ylethane-1,2-diamine

Chemical Property:

• PSA: 24.06000
• LogP: 2.15430
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 158.178298710
• Heavy Atom Count: 11
• Complexity: 92.2

Purity/Quality:

98%min ^*data from raw suppliers

N1-(tert-Butyl)-N2-isopropylethane-1,2-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCCNC(C)(C)C

Technology Process of N'-tert-butyl-N-propan-2-ylethane-1,2-diamine

There total 2 articles about N'-tert-butyl-N-propan-2-ylethane-1,2-diamine 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: 70.0%

isopropylamine (75-31-0) + N-(2-chloroethyl)-2-methylpropane-2-amine hydrochloride → N1-(tert-butyl)-N2-isopropylethane-1,2-diamine (90723-11-8)

Guidance literature:

In water; at 180 ℃; for 48h;

DOI:10.1002/ejic.200700217

Reference yield:

→ N1-(tert-butyl)-N2-isopropylethane-1,2-diamine (90723-11-8)

Guidance literature:

2-tert-Butylamino-ethylchlorid, Isopropylamin;

Reference yield:

N1-(tert-butyl)-N2-isopropylethane-1,2-diamine (90723-11-8) → (S)-1-(tert-butyl)-4-isopropyl-7-(1-phenylethyl)-1,4,7-triazacyclononane-2,6-dione

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 4 h / 0 - 20 °C / Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 6 h / 120 °C / Inert atmosphere

With N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1002/ejoc.201801323

upstream raw materials:

isopropylamine

Refernces