3-(Pyrimidin-5-yl)propan-1-amine

Base Information

• Chemical Name: 3-(Pyrimidin-5-yl)propan-1-amine
• CAS No.: 112104-02-6
• Molecular Formula: C₇H₁₁N₃
• Molecular Weight: 137.184
• Hs Code.: 2933599090
• European Community (EC) Number: 864-624-2
• DSSTox Substance ID: DTXSID20577067
• Wikidata: Q72504881
• Mol file: 112104-02-6.mol

Synonyms:3-(Pyrimidin-5-yl)propan-1-amine;112104-02-6;3-PYRIMIDIN-5-YLPROPAN-1-AMINE;5-Pyrimidinepropanamine (9CI);5-Pyrimidinepropanamine;SCHEMBL10423050;DTXSID20577067;MFCD14636533;AKOS006348702;SB56617;CS-0215085;EN300-220345;F86535

Chemical Property of 3-(Pyrimidin-5-yl)propan-1-amine

Chemical Property:

• Boiling Point: 253.0±23.0 °C(Predicted)
• PKA: 9.86±0.10(Predicted)
• PSA: 51.80000
• Density: 1.064
• LogP: 1.06820
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 137.095297364
• Heavy Atom Count: 10
• Complexity: 78.9

Purity/Quality:

99% ^*data from raw suppliers

3-(Pyrimidin-5-yl)propan-1-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=N1)CCCN
• Use Description: 5-Pyrimidinepropanamine (9CI) is a chemical compound with versatile applications in various fields. In the pharmaceutical industry, it serves as a crucial intermediate in the synthesis of pharmaceutical compounds and drug development. Its chemical structure is often utilized as a building block to create complex molecules with potential therapeutic properties. Additionally, in the field of organic chemistry, it can act as a reagent for various chemical transformations, allowing for the creation of diverse organic compounds. Its multifaceted properties and functions make it valuable in both research and practical applications within the pharmaceutical and chemical sectors, contributing to advancements in drug discovery and the development of novel organic compounds for various applications.

Technology Process of 3-(Pyrimidin-5-yl)propan-1-amine

There total 2 articles about 3-(Pyrimidin-5-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: 27.0%

→ 3-(pyrimidin-5-yl)propan-1-amine (112104-02-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield:

2-[3-(5-pyrimidinyl)propyl]-1H-isoindole-1,3(2H)-dione → 3-(pyrimidin-5-yl)propan-1-amine (112104-02-6)

Guidance literature:

Refernces

• 1、 -. "Phenyl substituted dipeptide amides". . . Retrieved 2008/06/13.