Benzenemethanamine, 4-(3-pyridinyl)-

Base Information

• Chemical Name: Benzenemethanamine, 4-(3-pyridinyl)-
• CAS No.: 294648-05-8
• Molecular Formula: C12H12 N2
• Molecular Weight: 184.241
• Hs Code.: 2933399090
• European Community (EC) Number: 818-834-6
• ChEMBL ID: CHEMBL178946
• DSSTox Substance ID: DTXSID001300835
• Mol file: 294648-05-8.mol

Synonyms:294648-05-8;Benzenemethanamine, 4-(3-pyridinyl)-;[4-(pyridin-3-yl)phenyl]methanamine;(4-(pyridin-3-yl)phenyl)methanamine;CHEMBL178946;4-PYRIDIN-3-YL-BENZYLAMINE 2 HYDROCHLORIDE;(4-(Pyridin-3-yl)phenyl)methanamine hydrochloride;(4-pyridin-3-ylphenyl)methanamine;4-Pyridin-3-yl-benzylamine;4-(pyridin-3-yl)benzylamine;SCHEMBL1720463;FUHDBJVMRRGFTR-UHFFFAOYSA-N;4-(3-Pyridinyl)benzenemethanamine;DTXSID001300835;[4-(3-Pyridinyl)phenyl]methanamine;BDBM50158931;MFCD08544239;AKOS010254020;NCGC00373813-01;EN300-95786;F20167;US8609708, 35;F2167-0740;2-Methoxy-5-methyl-2-phenyl-1-oxa-5-azaspiro[2.5]octane

Chemical Property of Benzenemethanamine, 4-(3-pyridinyl)-

Chemical Property:

• PSA: 38.91000
• LogP: 2.90760
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.100048391
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

[4-(3-Pyridinyl)phenyl]methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenemethanamine, 4-(3-pyridinyl)-

There total 10 articles about Benzenemethanamine, 4-(3-pyridinyl)- 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: 93.0%

N-[4-(pyridin-3-yl)benzyl]trifluoroacetamide → (4-(pyridin-3-yl)phenyl)methanamine (294648-05-8)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 60 ℃; for 3h;

DOI:10.1021/acs.jmedchem.5b01884

Reference yield: 55.0%

4-Bromobenzylamine (3959-07-7) + 3-pyridylboronic acid (1692-25-7) → (4-(pyridin-3-yl)phenyl)methanamine (294648-05-8)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In water; at 20 - 100 ℃; for 1.5h; Sealed tube; Inert atmosphere; Microwave irradiation;

DOI:10.1016/j.ejmech.2014.09.062

Reference yield: 34.0%

cis/trans-4-(pyridin-3-yl)phenyl-1-carbaldehyde oxime (837376-55-3) → (4-(pyridin-3-yl)phenyl)methanamine (294648-05-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 5h; Heating;

DOI:10.1021/jm049696n

upstream raw materials:

cis/trans-4-(pyridin-3-yl)phenyl-1-carbaldehyde oxime

3-Bromopyridine

3-pyridylboronic acid

4-(pyridin-3-yl)benzaldehyde

Downstream raw materials:

C₂₆H₃₂N₈

N-(4-(pyridin-3-yl)benzyl)-1H-indole-2-sulfonamide

1-(phenylsulfonyl)-N-(4-(pyridin-3-yl)benzyl)-1H-indole-2-sulfonamide

Refernces

• 1、 Tatani, Kazuya,Hiratochi, Masahiro,Kikuchi, Norihiko,Kuramochi, Yu,Watanabe, Shinjiro,Yamauchi, Yuji,Itoh, Fumiaki,Isaji, Masayuki,Shuto, Satoshi. "Identification of Adenine and Benzimidazole Nucleosides as Potent Human Concentrative Nucleoside Transporter 2 Inhibitors: Potential Treatment for Hyperuricemia and Gout". supporting information. p. 3719 - 3731. Retrieved 2016/05/19.
• 2、 -. "N- (ARYLALKYL) - 1H- INDOLE- 2 - SULFONIC ACID AMIDE COMPOUNDS AND THEIR THERAPEUTIC USE AS CANNABINOID ALLOSTERIC MODULATORS". Page/Page column 131. . Retrieved 2012/09/21.