2,2'-((2-Methylpropyl)imino)bisethanol

Base Information

• Chemical Name: 2,2'-((2-Methylpropyl)imino)bisethanol
• CAS No.: 30769-76-7
• Molecular Formula: C8H19 N O2
• Molecular Weight: 161.244
• Hs Code.: 2922199090
• European Community (EC) Number: 250-330-6
• NSC Number: 86971
• UNII: NG5GEH4L19
• DSSTox Substance ID: DTXSID50184783
• Nikkaji Number: J287.390G
• Wikidata: Q83055724
• Mol file: 30769-76-7.mol

Synonyms:30769-76-7;2,2'-((2-Methylpropyl)imino)bisethanol;2-[(2-hydroxyethyl)(2-methylpropyl)amino]ethan-1-ol;N-ISOBUTYLDIETHANOLAMINE;n-isobutyl diethanolamine;2,2'-(isobutylazanediyl)diethanol;2-[2-hydroxyethyl(2-methylpropyl)amino]ethanol;NG5GEH4L19;EINECS 250-330-6;NSC-86971;Ethanol, 2,2'-((2-methylpropyl)imino)bis-;2,2'-[(2-METHYLPROPYL)IMINO]BISETHANOL;2-((2-HYDROXYETHYL)(2-METHYLPROPYL)AMINO)ETHAN-1-OL;2,2'-(isobutylimino)bisethanol;NSC86971;UNII-NG5GEH4L19;ISOBUTYLDIETHANOLAMINE;NCIOpen2_001079;SCHEMBL339998;DTXSID50184783;ADAL1018615;NSC 86971;AKOS011297129;N-(2-METHYLPROPYL)DIETHANOLAMINE;CS-0221844;EN300-100246;2,2'-((2-METHYLPROPYL)IMINO)BIS(ETHANOL);Z905423816

Chemical Property of 2,2'-((2-Methylpropyl)imino)bisethanol

Chemical Property:

• Boiling Point: 272.1°Cat760mmHg
• PKA: 14.38±0.10(Predicted)
• Flash Point: 124.2°C
• PSA: 43.70000
• Density: 0.987g/cm³
• LogP: -0.07100
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 161.141578849
• Heavy Atom Count: 11
• Complexity: 80.2

Purity/Quality:

99% ^*data from raw suppliers

2-[(2-hydroxyethyl)(2-methylpropyl)amino]ethan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN(CCO)CCO

Technology Process of 2,2'-((2-Methylpropyl)imino)bisethanol

There total 1 articles about 2,2'-((2-Methylpropyl)imino)bisethanol 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: 94.3%

oxirane (75-21-8,99932-75-9) + isobutylamine (78-81-9) → 2,2'-(isobutylimino)bisethanol (30769-76-7)

Guidance literature:

In water; at 4 ℃; for 15h;

DOI:10.1021/jm00153a012

Reference yield:

2,2'-(isobutylimino)bisethanol (30769-76-7) → 1-isobutyl-1-(2-hydroxyethyl)aziridinium chloride (99748-91-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 8.2 percent / ethyl acetate / 0.5 h

2: 88.3 percent / SOCl₂ / CHCl₃ / 2.5 h / Ambient temperature

3: 5 N NaOH / H₂O / 0.5 h / Ambient temperature; pH 11.3-11.6

With sodium hydroxide; thionyl chloride; In chloroform; water; ethyl acetate;

DOI:10.1021/jm00153a012

upstream raw materials:

oxirane

isobutylamine

Downstream raw materials:

1-isobutyl-1-(2-hydroxyethyl)aziridinium chloride

Refernces