3-(Pyridin-3-yl)propan-1-amine

Base Information

• Chemical Name: 3-(Pyridin-3-yl)propan-1-amine
• CAS No.: 41038-69-1
• Molecular Formula: C8H12N2
• Molecular Weight: 136.19400
• Hs Code.: 2933399090
• European Community (EC) Number: 839-295-3
• ChEMBL ID: CHEMBL385023
• DSSTox Substance ID: DTXSID50543790
• Nikkaji Number: J1.562.502C
• Wikidata: Q82420751
• Mol file: 41038-69-1.mol

Synonyms:41038-69-1;3-(pyridin-3-yl)propan-1-amine;3-(3-PYRIDYL)PROPYLAMINE;3-PYRIDINEPROPANAMINE;3-PYRIDIN-3-YL-PROPYLAMINE;3-PYRIDIN-3-YLPROPAN-1-AMINE;3-(3-PYRIDINYL)-1-PROPANAMINE;MFCD09886637;3-pyridylpropylamine;3-pyridine propanamine;3-(3-pyridinyl)propanamine;CHEMBL385023;SCHEMBL1188053;BDBM12369;DTXSID50543790;CORPZWBVJRCLMW-UHFFFAOYSA-N;3-(pyridine-3-yl)propan-1-amine;(3-PYRIDIN-3-YLPROPYL)AMINE;AKOS005216860;AB54556;(3-pyridin-3-ylpropyl)amine, AldrichCPR;AS-32159;SY022422;CS-0158399;EN300-215991

Chemical Property of 3-(Pyridin-3-yl)propan-1-amine

Chemical Property:

• Boiling Point: 246.6±23.0 °C(Predicted)
• PKA: 9.98±0.10(Predicted)
• PSA: 38.91000
• Density: 1.003±0.06 g/cm3(Predicted)
• LogP: 1.67320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 136.100048391
• Heavy Atom Count: 10
• Complexity: 83.3

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-Pyridyl)propylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)CCCN

Technology Process of 3-(Pyridin-3-yl)propan-1-amine

There total 10 articles about 3-(Pyridin-3-yl)propan-1-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: 90.0%

2-[3-(pyridin-3-yl)propyl]-1H-isoindole-1,3(2H)-dione (84200-00-0) → 3-(3-pyridyl)propylamine (41038-69-1)

Guidance literature:

With hydrazine hydrate; In methanol; for 6h;

DOI:10.1021/acs.jmedchem.9b01030

Reference yield: 68.0%

tert-butyl (3-(pyridin-3-yl)propyl)carbamate (859239-24-0) → 3-(3-pyridyl)propylamine (41038-69-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/jm060519r

Reference yield:

3-chlorohydrocinnamic acid (21640-48-2) → 3-(3-Chloro-phenyl)-propylamine (18655-49-7) + 3-(3-pyridyl)propylamine (41038-69-1)

Guidance literature:

3-chlorohydrocinnamic acid; With borane-THF; at 20 ℃; for 20h;

With di-isopropyl azodicarboxylate; diphenyl phosphoryl azide; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 12h; Overall yield = 100 %; Further stages;

upstream raw materials:

2-[3-(pyridin-3-yl)propyl]-1H-isoindole-1,3(2H)-dione

tert-butyl (3-(pyridin-3-yl)propyl)carbamate

3-Bromopyridine

(3-pyridin-3-yl-prop-2-ynyl)carbamic acid tert-butyl ester

Downstream raw materials:

N₁,N₂-bis(benzyloxycarbonyl)-N₃-[3-(pyridin-3-yl)propyl]guanidine

Refernces

• 1、 Li, Xue-Meng,Lv, Wei,Guo, Si-Yang,Li, Ya-Xin,Fan, Bing-Zhi,Cushman, Mark,Kong, Fan-Sheng,Zhang, Jun,Liang, Jian-Hua. "Synthesis and structure-bactericidal activity relationships of non-ketolides: 9-Oxime clarithromycin 11,12-cyclic carbonate featured with three-to eight-atom-length spacers at 3-OH". . p. 235 - 254. Retrieved 2019/03/27.
• 2、 Mukherjee, Paramita,Li, Huiying,Sevrioukova, Irina,Chreifi, Georges,Martásek, Pavel,Roman, Linda J.,Poulos, Thomas L.,Silverman, Richard B.. "Novel 2,4-disubstituted pyrimidines as potent, selective, and cell-permeable inhibitors of neuronal nitric oxide synthase". . p. 1067 - 1088. Retrieved 2015/03/04.