3-Amino-N,N-dimethylbenzylamine

Base Information

• Chemical Name: 3-Amino-N,N-dimethylbenzylamine
• CAS No.: 27958-77-6
• Molecular Formula: C9H14N2
• Molecular Weight: 150.224
• Hs Code.: 2921590090
• European Community (EC) Number: 248-747-3
• NSC Number: 207809
• UNII: XWS7V668LS
• DSSTox Substance ID: DTXSID00182239
• Nikkaji Number: J88.535E
• Wikidata: Q83052888
• Mol file: 27958-77-6.mol

Synonyms:3-Amino-N,N-dimethylbenzylamine;27958-77-6;3-[(dimethylamino)methyl]aniline;3-((Dimethylamino)methyl)aniline;3-DIMETHYLAMINOMETHYL-ANILINE;3-(dimethylaminomethyl)aniline;Benzenemethanamine, 3-amino-N,N-dimethyl-;EINECS 248-747-3;3-Amino-N,N-dimethylbenzenemethanamine;NSC-207809;NSC207809;3-Dimethylaminomethylaniline;C(N(C)C)c1cccc(N)c1;XWS7V668LS;SCHEMBL309116;3-(dimethylaminomethyl)-aniline;DTXSID00182239;3-(N,N-Dimethylaminomethyl)aniline;N-(3-aminophenylmethyl)dimethylamine;3 -(N,N-dimethylaminomethyl)aniline;MFCD00036095;AKOS000155419;AB01577;NSC 207809;[3-[(Dimethylamino)methyl]phenyl]amine;3-DIMETHYLAMINOMETHYL-PHENYLAMINE;3-Dimethylaminomethyl-aniline, AldrichCPR;BS-13450;CS-0036032;FT-0692047;EN300-36245;J-016930;Z285162888

Chemical Property of 3-Amino-N,N-dimethylbenzylamine

Chemical Property:

• Vapor Pressure: 0.0494mmHg at 25°C
• Melting Point: 44-46 °C(Solv: ligroine (8032-32-4))
• Refractive Index: 1.566
• Boiling Point: 235.7 °C at 760 mmHg
• PKA: 8.92±0.28(Predicted)
• Flash Point: 87.5 °C
• PSA: 29.26000
• Density: 1.013 g/cm³
• LogP: 1.91160
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• 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:

99% ^*data from raw suppliers

3-Amino-N,N-dimethylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC(=CC=C1)N
• Uses: 3-amino-n,n-dimethylbenzylamine is used as a reagent in the preparation of amino-triazole-carboxamide derivatives for use in Trypanosoma cruzi.

Technology Process of 3-Amino-N,N-dimethylbenzylamine

There total 6 articles about 3-Amino-N,N-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: 100.0%

N-(3-nitrophenylmethyl)dimethylamine (15184-95-9) → 3-((dimethylamino)methyl)aniline (27958-77-6)

Guidance literature:

With hydrogenchloride; iron; In ethanol; for 100h; Reflux;

DOI:10.1021/acs.jmedchem.6b01018

Reference yield: 99.0%

→ 3-((dimethylamino)methyl)aniline (27958-77-6)

Guidance literature:

Reference yield:

1-bromomethyl-3-nitrobenzene (3958-57-4) → 3-((dimethylamino)methyl)aniline (27958-77-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran; toluene / 2 h / Heating

2: H₂ / 10percent Pd/C / ethyl acetate / 0.5 h

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethyl acetate; toluene;

DOI:10.1021/jm980072p

upstream raw materials:

N-(3-nitrophenylmethyl)dimethylamine

1-bromomethyl-3-nitrobenzene

3-Nitrobenzyl chloride

m-nitrobenzoic acid chloride

Downstream raw materials:

N-(3-((dimethylamino)methyl)phenyl)-5-(2-fluorophenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine