Benzyl-pyridin-3-ylmethyl-amine

Base Information

• Chemical Name: Benzyl-pyridin-3-ylmethyl-amine
• CAS No.: 63361-56-8
• Molecular Formula: C13H14 N2
• Molecular Weight: 198.268
• Hs Code.: 2933399090
• NSC Number: 160933
• DSSTox Substance ID: DTXSID70303757
• Nikkaji Number: J2.179.828B
• Wikidata: Q82049207
• Mol file: 63361-56-8.mol

Synonyms:63361-56-8;Benzyl-pyridin-3-ylmethyl-amine;N-Benzyl-1-(pyridin-3-yl)methanamine;N-Nicotinylbenzylamine;1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-Benzyl-3-pyridinemethylamine;1-PHENYL-N-(PYRIDIN-3-YLMETHYL)METHYLAMINE;Benzylpyridin-3-ylmethylamine;benzyl(pyridin-3-ylmethyl)amine;NSC160933;Tert-butylN-acetylcarbamate;SCHEMBL1042402;DTXSID70303757;COHYOBKZKMKMIX-UHFFFAOYSA-N;N-benzyl-N-(3-pyridylmethyl)amine;MFCD00716866;n-benzyl-n-(pyridin-3-ylmethyl)amine;AKOS000226217;NSC-160933;SB54091;1-phenyl-N-(3-pyridylmethyl)methanamine;AS-40608;CS-0313944;FT-0726749

Chemical Property of Benzyl-pyridin-3-ylmethyl-amine

Chemical Property:

• Vapor Pressure: 0.000182mmHg at 25°C
• Boiling Point: 329oC at 760 mmHg
• Flash Point: 152.8oC
• PSA: 24.92000
• Density: 1.071g/cm3
• LogP: 2.76230
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.115698455
• Heavy Atom Count: 15
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

1-phenyl-N-(pyridin-3-ylmethyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCC2=CN=CC=C2

Technology Process of Benzyl-pyridin-3-ylmethyl-amine

There total 10 articles about Benzyl-pyridin-3-ylmethyl-amine 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: 83.0%

pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) + benzylamine (100-46-9) → 1-phenyl-N-(pyridin-3-ylmethyl)methanamine (63361-56-8)

Guidance literature:

With hydrogen; In para-xylene; at 90 ℃; for 20h; under 750.075 Torr; chemoselective reaction;

DOI:10.1021/acscatal.0c04379

Reference yield: 82.0%

3-Aminomethylpyridine (3731-52-0) + benzyl alcohol (100-51-6,185532-71-2) → 1-phenyl-N-(pyridin-3-ylmethyl)methanamine (63361-56-8)

Guidance literature:

With potassium tert-butylate; In toluene; at 140 ℃; for 24h;

DOI:10.1039/d1sc05913k

Reference yield: 81.0%

3-Aminomethylpyridine (3731-52-0) + benzonitrile (100-47-0) → 1-phenyl-N-(pyridin-3-ylmethyl)methanamine (63361-56-8)

Guidance literature:

With dimethylamine borane; (9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene)dichlorocobalt(II); at 27 ℃; for 16h; Glovebox; Inert atmosphere;

DOI:10.1002/adsc.201900586

upstream raw materials:

3-Aminomethylpyridine

benzaldehyde

benzyl bromide

1-benzylamino-1-(3-pyridyl)-methyl-H-phosphinic acid

Downstream raw materials:

N-(2-pyridylmethyl)-benzylamine oxalate

N-Benzyl-N-pyridin-3-ylmethyl-2-(quinoline-8-sulfonylamino)-benzamide

Refernces

• 1、 Borthakur, Ishani,Maji, Milan,Joshi, Abhisek,Kundu, Sabuj. "Reductive Alkylation of Azides and Nitroarenes with Alcohols: A Selective Route to Mono- And Dialkylated Amines". . p. 628 - 643. Retrieved 2021/12/27.
• 2、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Dwivedi, Ashutosh,Manna, Kuntal. "Aluminum Metal-Organic Framework-Ligated Single-Site Nickel(II)-Hydride for Heterogeneous Chemoselective Catalysis". . p. 3943 - 3957. Retrieved 2021/04/12.