N,N'-Diisopropyl-1,3-propanediamine

Base Information

• Chemical Name: N,N'-Diisopropyl-1,3-propanediamine
• CAS No.: 63737-71-3
• Molecular Formula: C9H22 N2
• Molecular Weight: 158.287
• Hs Code.: 2921290000
• European Community (EC) Number: 627-555-7
• DSSTox Substance ID: DTXSID00213178
• Nikkaji Number: J1.010.964G
• Wikidata: Q83088461
• Mol file: 63737-71-3.mol

Synonyms:63737-71-3;N,N'-Diisopropyl-1,3-propanediamine;N,N'-diisopropylpropane-1,3-diamine;N,N'-di(propan-2-yl)propane-1,3-diamine;N,N-DIISOPROPYL-1,3-PROPANEDIAMINE;1,3-Propanediamine, N,N'-bis(1-methylethyl)-;SCHEMBL479263;DTXSID00213178;N,N'-Diisopropyl-trimethylenediamine;MFCD00026357;N,N'-diisopropyl-1,3-diaminopropane;AKOS005174976;N,N'-diisopropyl propane-1,3-diamine;FT-0683949;N,N'-Diisopropyl-1,3-propanediamine, 96%;(propan-2-yl)({3-[(propan-2-yl)amino]propyl})amine

Chemical Property of N,N'-Diisopropyl-1,3-propanediamine

Chemical Property:

• Melting Point: 37.5°C (estimate)
• Refractive Index: n20/D 1.432(lit.)
• Boiling Point: 186.1°Cat760mmHg
• PKA: 10.83±0.29(Predicted)
• Flash Point: 63.9°C
• PSA: 24.06000
• Density: 0.809g/cm³
• LogP: 2.15430
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 158.178298710
• Heavy Atom Count: 11
• Complexity: 69.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

N,N'-DIISOPROPYLPROPANE-1,3-DIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)NCCCNC(C)C

Technology Process of N,N'-Diisopropyl-1,3-propanediamine

There total 4 articles about N,N'-Diisopropyl-1,3-propanediamine 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%

isopropylamine (75-31-0) + 1,3-dibromo-propane (109-64-8) → N,N'-diisopropyl-1,3-propanediamine (63737-71-3)

Guidance literature:

In water; 1.) 0 deg C to ambient temperature (slowly), 2.) reflux, overnight;

DOI:10.1021/jo00017a016

Reference yield:

N,N'-diisopropyl-propenediyldiamine (635320-08-0) → N,N'-diisopropyl-1,3-propanediamine (63737-71-3)

Guidance literature:

With nickel; at 105 ℃; under 51485.6 Torr; Hydrogenation;

DOI:10.1021/ja01128a044

Reference yield:

Trimethylenediamine (109-76-2,54018-94-9) + acetone (67-64-1) → N,N'-diisopropyl-1,3-propanediamine (63737-71-3)

Guidance literature:

With hydrogen; platinum on activated charcoal;

upstream raw materials:

N,N'-diisopropyl-propenediyldiamine

isopropylamine

acrolein

Trimethylenediamine

Downstream raw materials:

1,4-Diisopropyl-3-thioxo-[1,4]diazepan-2-one

Ph₂PN(i-Pr)(CH₂)3N(i-Pr)PPh₂

4-Amino-N-(1-methylethyl)-N-[3-[(1-methylethyl)amino]propyl]benzenesulfonamide, maleate

Refernces