[5-(Aminomethyl)-2,4-dimethylphenyl]methanamine

Base Information

• Chemical Name: [5-(Aminomethyl)-2,4-dimethylphenyl]methanamine
• CAS No.: 1889-05-0
• Molecular Formula: C10H16N2
• Molecular Weight: 164.25
• Hs Code.: 2921590090
• NSC Number: 163990
• DSSTox Substance ID: DTXSID60304036
• Nikkaji Number: J1.624.218G
• Wikidata: Q82049639
• Mol file: 1889-05-0.mol

Synonyms:1889-05-0;2,4-Diaminomethyl-1,5-dimethylbenzene;4,6-Dimethyl-m-xylylenediamine;[5-(aminomethyl)-2,4-dimethylphenyl]methanamine;(4,6-Dimethyl-1,3-phenylene)dimethanamine;Maybridge3_003483;Oprea1_287658;SCHEMBL978569;DTXSID60304036;NSC163990;CCG-256357;NSC-163990;IDI1_014870;5-(aminomethyl)-2,4-dimethylbenzylamine;FT-0694452

Chemical Property of [5-(Aminomethyl)-2,4-dimethylphenyl]methanamine

Chemical Property:

• Vapor Pressure: 0.00141mmHg at 25°C
• Refractive Index: 1.565
• Boiling Point: 296.8 °C at 760 mmHg
• Flash Point: 157.6 °C
• PSA: 52.04000
• Density: 1.014 g/cm³
• LogP: 2.62140
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.131348519
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

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

4,6-DIMETHYL-M-XYLYLENEDIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1CN)CN)C

Technology Process of [5-(Aminomethyl)-2,4-dimethylphenyl]methanamine

There total 6 articles about [5-(Aminomethyl)-2,4-dimethylphenyl]methanamine 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%

4,6-bis(chloromethyl)-m-xylene (1585-15-5) → (4,6-dimethyl-1,3-phenylene)dimethanamine (1889-05-0)

Guidance literature:

With ammonia; In methanol; at 55 ℃; for 3h;

DOI:10.1021/jo071159y

Reference yield:

N,N'-diacetyl-1,3-bis(aminomethyl)-4,6-dimethylbenzene (32280-53-8) → (4,6-dimethyl-1,3-phenylene)dimethanamine (1889-05-0)

Guidance literature:

With hydrogenchloride; for 20h; Heating;

Reference yield:

m-xylene (108-38-3,104809-90-7) → (4,6-dimethyl-1,3-phenylene)dimethanamine (1889-05-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) concd. sulfuric acid / 1.) glacial acetic acid, from 60 to 65 deg C, 2.) glacial acetic acid, 90 deg C, 20 h

2: 3 N aq. HCl / 20 h / Heating

With hydrogenchloride; sulfuric acid;

upstream raw materials:

4,6-bis(chloromethyl)-m-xylene

1,5-dimethyl-2,4-bis-phthalimidomethyl-benzene

N,N'-diacetyl-1,3-bis(aminomethyl)-4,6-dimethylbenzene

hydrogenchloride

Downstream raw materials:

Undec-10-enoic acid 2,4-dimethyl-5-(undec-10-enoylamino-methyl)-benzylamide

N'-((tert-butyloxy)carbonyl)-1,3-bis(aminomethyl)-4,6-dimethylbenzene

carbamic acid, <3--1,3,5-triazin-2-yl>amino>methyl>-2,4-dimethylphenyl>methyl>amino>-1,3,5-triazin-2-yl>amino>-5-bromobenzoyl>-N-<<4-(1,1-dimethylethyl)phenyl>methyl>amino>phenyl>-, 1,1-di...

2-<<4-amino-6-<<<5-<<<4-amino-6-<(3,3-dimethylbutyl)amino>-1,3,5-triazin-2-yl>amino>methyl>-2,4-dimethylphenyl>methyl>amino>-1,3,5-triazin-2-yl>amino>-N-(3-aminophenyl)-N-<<4-(1,1-dimethylethyl)phenyl>methyl>-5-bromobenzamide

Refernces

• 1、 Mathias, John P.,Seto, Christopher T.,Simanek, Eric E.,Whitesides, George M.. "Self-assembly through hydrogen bonding: Preparation and characterization of three new types of supramolecular aggregates based on parallel cyclic CA3·-M3"". . p. 1725 - 1736. Retrieved 2007/10/02.