N-((o-Tolyl)methyl)propane-1,3-diamine

Base Information

• Chemical Name: N-((o-Tolyl)methyl)propane-1,3-diamine
• CAS No.: 38486-29-2
• Molecular Formula: C11H18N2
• Molecular Weight: 178.277
• Hs Code.: 2921590090
• European Community (EC) Number: 253-966-2
• UNII: GMK684AEG8
• DSSTox Substance ID: DTXSID20191808
• Nikkaji Number: J294.677G
• Wikidata: Q83064387
• Mol file: 38486-29-2.mol

Synonyms:38486-29-2;N-((o-Tolyl)methyl)propane-1,3-diamine;N-(2-methylbenzyl)propane-1,3-diamine;N'-[(2-methylphenyl)methyl]propane-1,3-diamine;EINECS 253-966-2;GMK684AEG8;1,3-Propanediamine, N-((2-methylphenyl)methyl)-;N-[(o-tolyl)methyl]propane-1,3-diamine;UNII-GMK684AEG8;SCHEMBL14399064;DTXSID20191808;MFCD12765761;STL183334;AKOS000265997;N-[(2-Methylphenyl)methyl]-1,3-propanediamine;A1-05875;(3-AMINOPROPYL)[(2-METHYLPHENYL)METHYL]AMINE;N1-((2-METHYLPHENYL)METHYL)-1,3-PROPANEDIAMINE;1,3-PROPANEDIAMINE, N1-((2-METHYLPHENYL)METHYL)-

Chemical Property of N-((o-Tolyl)methyl)propane-1,3-diamine

Chemical Property:

• Vapor Pressure: 0.0015mmHg at 25°C
• Boiling Point: 295.8°Cat760mmHg
• Flash Point: 154.4°C
• PSA: 38.05000
• Density: 0.968g/cm³
• LogP: 2.52460
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 178.146998583
• Heavy Atom Count: 13
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

N'-[(2-methylphenyl)methyl]propane-1,3-diamine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CNCCCN

Technology Process of N-((o-Tolyl)methyl)propane-1,3-diamine

There total 1 articles about N-((o-Tolyl)methyl)propane-1,3-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: 42.0%

Trimethylenediamine (109-76-2,54018-94-9) + 2-methylphenyl aldehyde (529-20-4) → N1-(2-methylbenzyl)propane-1,3-diamine (38486-29-2)

Guidance literature:

Trimethylenediamine; 2-methylphenyl aldehyde; In toluene; for 5h; Reflux; Dean-Stark;

With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃; for 4h;

DOI:10.1016/j.ejmech.2012.06.045

Reference yield: 37.0%

N1-(2-methylbenzyl)propane-1,3-diamine (38486-29-2) + 1,4,5,8-naphthalenetetracarboxylic dianhydride (81-30-1) → 2,7-bis-[3-(2-methylbenzylamino)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone (1415243-39-8)

Guidance literature:

In isopropyl alcohol; for 2h; Reflux;

DOI:10.1016/j.ejmech.2012.06.045

upstream raw materials:

Trimethylenediamine

2-methylphenyl aldehyde

Downstream raw materials:

2,7-bis-[3-(2-methylbenzylamino)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone

Refernces