2-(aminomethyl)-N,N-dimethylaniline

Base Information

• Chemical Name: 2-(aminomethyl)-N,N-dimethylaniline
• CAS No.: 57678-45-2
• Molecular Formula: C9H14N2
• Molecular Weight: 150.224
• Hs Code.: 2921590090
• European Community (EC) Number: 813-359-0
• DSSTox Substance ID: DTXSID60375423
• Nikkaji Number: J1.504.526D
• Wikidata: Q82163955
• Mol file: 57678-45-2.mol

Synonyms:2-(aminomethyl)-N,N-dimethylaniline;57678-45-2;N-[2-(Aminomethyl)phenyl]-N,N-dimethylamine;2-(N,N-dimethylamino)benzylamine;SCHEMBL1854006;DTXSID60375423;o-(N,N-dimethylamino)benzylamine;MMSHDAHNUHLXQD-UHFFFAOYSA-N;2-(Dimethylamino)benzenemethanamine;MFCD04037893;AKOS000260907;FS-1734;SB75872;(2-amino methyl-phenyl)-dimethyl-amine;BB 0258793;CS-0151311;FT-0676937;n-((2-aminomethyl)phenyl)-n,n-dimethylamine;N-(2-Aminomethyl)phenyl)-N,N-dimethylamine;EN300-145480;N-[2-(aminomethyl)phenyl]-N,N-dimethylamine, AldrichCPR

Chemical Property of 2-(aminomethyl)-N,N-dimethylaniline

Chemical Property:

• Boiling Point: 60°/0.05mm
• PKA: 9.68±0.10(Predicted)
• PSA: 29.26000
• Density: 1.019±0.06 g/cm3(Predicted)
• LogP: 1.91160
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.115698455
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

98%Min ^*data from raw suppliers

N-[2-(Aminomethyl)phenyl]-N,N-dimethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=CC=C1CN

Technology Process of 2-(aminomethyl)-N,N-dimethylaniline

There total 5 articles about 2-(aminomethyl)-N,N-dimethylaniline 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: 100.0%

2-N,N-dimethylaminobezonitrile (20925-24-0) → 2-(aminomethyl)phenyl-N,N-dimethylamine (57678-45-2)

Guidance literature:

With ammonium hydroxide; hydrogen; In methanol; at 20 ℃;

Reference yield: 81.0%

2-fluorobenzonitrile (394-47-8) + dimethylamine borane → 2-(aminomethyl)phenyl-N,N-dimethylamine (57678-45-2)

Guidance literature:

dimethylamine borane; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃;

2-fluorobenzonitrile; In tetrahydrofuran; hexane; at 65 ℃; for 2h; Further stages.;

DOI:10.1021/jo001388j

Reference yield:

2-Chlorobenzonitrile (873-32-5) + dimethylamine borane → 2-(aminomethyl)phenyl-N,N-dimethylamine (57678-45-2) + 2-CHLOROBENZYLAMINE (89-97-4)

Guidance literature:

dimethylamine borane; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃;

2-Chlorobenzonitrile; In tetrahydrofuran; hexane; at 65 ℃; for 12h; Further stages.;

DOI:10.1021/jo001388j

upstream raw materials:

2-dimethylamino-benzaldehyde-oxime

2-Chlorobenzonitrile

2-fluorobenzonitrile

o-cyanobromobenzene

Downstream raw materials:

C₂₅H₂₂FN₃O₂S

3-[1-(2-(N,N-dimethylamino)benzylamino)hexadecylidene]-5-(hydroxymethyl)furan-2,4(3H,5H)-dione

Refernces

• 1、 Thomas,Collins,Cuzens,Spiciarich,Goralski,Singaram. "Aminoborohydrides. 12. Novel tandem SNAr amination-reduction reactions of 2-halobenzonitriles with lithium N,N-dialkylaminoborohydrides". . p. 1999 - 2004. Retrieved 2007/10/03.