Isaxonine

Base Information

• Chemical Name: Isaxonine
• CAS No.: 4214-72-6
• Molecular Formula: C7H11N3
• Molecular Weight: 137.184
• Hs Code.: 2933599090
• NSC Number: 760406
• UNII: 883G6DMT63
• DSSTox Substance ID: DTXSID20194975
• Nikkaji Number: J9.620B
• Wikidata: Q27269878
• NCI Thesaurus Code: C65969
• ChEMBL ID: CHEMBL1740513
• Mol file: 4214-72-6.mol

Synonyms:isaxonine;isopropylamino-2-pyrimidine phosphate;N-isopropyl-amino-2-pyrimidine orthophosphate;Nerfactor

Chemical Property of Isaxonine

Chemical Property:

• Vapor Pressure: 0.0702mmHg at 25°C
• Melting Point: 27-28oC
• Boiling Point: 229℃
• Flash Point: 93℃
• PSA: 37.81000
• Density: 1.065
• LogP: 1.36990
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 137.095297364
• Heavy Atom Count: 10
• Complexity: 86.9

Purity/Quality:

97% ^*data from raw suppliers

Isaxonine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=NC=CC=N1
• Uses: Isaxonine is a neurotropic agent. Isaxonine prevents synaptic remodeling by suppression of the redundant nerve endings from additional axons. Isaxonine is transformed by cytochrome P 450 into reactive metabolites that lead to immunoallergic hepatitis in man.
• Therapeutic Function: Neurotropic

Technology Process of Isaxonine

There total 3 articles about Isaxonine 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: 91.0%

→ 2-isopropylamino-pyrimidine (4214-72-6)

Guidance literature:

Reference yield: 87.0%

2-chloropyrimidine (1722-12-9,1195939-87-7) + 1-aminodecane (2016-57-1) → 2-isopropylamino-pyrimidine (4214-72-6)

Guidance literature:

With triethylamine; In ethanol; at 120 ℃; Microwave irradiation;

DOI:10.1021/jm1011148

Reference yield: 86.0%

2-chloropyrimidine (1722-12-9,1195939-87-7) + isopropylamine (75-31-0) → 2-isopropylamino-pyrimidine (4214-72-6)

Guidance literature:

With potassium fluoride; In water; at 100 ℃; for 17h; Sealed tube;

DOI:10.1039/d0cc00575d

upstream raw materials:

2-chloropyrimidine

isopropylamine

1-aminodecane

Downstream raw materials:

2-(1,1'-biphenyl-4-yl)-2-hydroxy-1-isopropyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-4-ium bromide

isopropyl-(5-phenyl-pyrimidin-2-yl)-amine

Br^(1-)*C₁₅H₁₈N₃O⁽¹⁺⁾

(5-bromopyrimidin-2-yl)-N-isopropylamine