2,3-Dimethylbenzylamine

Base Information

• Chemical Name: 2,3-Dimethylbenzylamine
• CAS No.: 51586-20-0
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• European Community (EC) Number: 674-257-8
• DSSTox Substance ID: DTXSID90384189
• Nikkaji Number: J565.899C
• Wikidata: Q72469469
• ChEMBL ID: CHEMBL268979
• Mol file: 51586-20-0.mol

Synonyms:2,3-Dimethylbenzylamine;51586-20-0;(2,3-dimethylphenyl)methanamine;2,3-dimethylbenzyl amine;Benzenemethanamine, 2,3-dimethyl-;1-(2,3-dimethylphenyl)methanamine;2,3-Dimethyl-benzylamine;MFCD00052680;2,3-Dimethylbenzyllamine;SCHEMBL15997;CHEMBL268979;DTXSID90384189;UKLRWOHZBISUMI-UHFFFAOYSA-N;2,3-Dimethylbenzylamine, AldrichCPR;CK1112;STK503753;AKOS000169465;PS-4690;SY002793;CS-0182142;FT-0609712;EN300-863878;A828671

Chemical Property of 2,3-Dimethylbenzylamine

Chemical Property:

• Vapor Pressure: 0.0705mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 229.193 °C at 760 mmHg
• PKA: 9.31±0.10(Predicted)
• Flash Point: 95.039 °C
• PSA: 26.02000
• Density: 0.952 g/cm³
• LogP: 2.46240
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)CN)C

Technology Process of 2,3-Dimethylbenzylamine

There total 1 articles about 2,3-Dimethylbenzylamine 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:

2,3-dimethylbenzonitrile (5724-56-1) → 2,3-dimethylbenzylamine (51586-20-0)

Guidance literature:

With lithium aluminium tetrahydride;

Reference yield: 92.0%

α-ethoxycarbonyl-γ,γ-dimethyl-Δα,β-butenolide (67498-38-8) + 2,3-dimethylbenzylamine (51586-20-0) → ethyl 4-((2,3-dimethylbenzyl)amino)-5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 20 - 50 ℃; for 10h;

DOI:10.1021/acs.joc.8b02760

Reference yield: 91.0%

[di(propan-2-yl)amino](oxo)acetyl chloride (141109-47-9) + 2,3-dimethylbenzylamine (51586-20-0) → N1-(2,3-dimethylbenzyl)-N2,N2-diisopropyloxalamide

Guidance literature:

[di(propan-2-yl)amino](oxo)acetyl chloride; 2,3-dimethylbenzylamine; In dichloromethane; at 0 ℃; for 0.0833333h;

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 6h;

DOI:10.1021/jo502365b

upstream raw materials:

2,3-dimethylbenzonitrile

Downstream raw materials:

benzyldimethyl-n-octylammonium chloride

(2,3-dimethylphenyl)methanol

benzyl-(p-bromophenacyl)dimethylammonium bromide

3-(2,3-Dimethyl-benzyl)-1-(2-hydroxy-ethyl)-1-methyl-thiourea