1H-Imidazole-4-propanamine

Base Information

• Chemical Name: 1H-Imidazole-4-propanamine
• CAS No.: 40546-33-6
• Molecular Formula: C6H11N3
• Molecular Weight: 125.173
• Hs Code.: 2933290090
• European Community (EC) Number: 254-968-6
• DSSTox Substance ID: DTXSID20193569
• Nikkaji Number: J291.066G
• Wikidata: Q83066315
• Pharos Ligand ID: 2C791BGSUCHA
• ChEMBL ID: CHEMBL91353
• Mol file: 40546-33-6.mol

Synonyms:imidazolyl-4-propylamine;imidazolylpropylamine

Chemical Property of 1H-Imidazole-4-propanamine

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Boiling Point: 333.2°C at 760 mmHg
• PKA: 14?+-.0.10(Predicted)
• Flash Point: 181.8°C
• PSA: 54.70000
• Density: 1.098g/cm³
• LogP: 1.00130
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 125.095297364
• Heavy Atom Count: 9
• Complexity: 74.7

Purity/Quality:

98%min ^*data from raw suppliers

3-(1H-Imidazol-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(NC=N1)CCCN

Technology Process of 1H-Imidazole-4-propanamine

There total 17 articles about 1H-Imidazole-4-propanamine 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%

3-(1H-Imidazol-4-yl)propannitril (33550-96-8) → 3-[imidazol-4(5)-yl]propylamine (40546-33-6)

Guidance literature:

With hydrogen; nickel; In ammonia; for 30h; under 15001.2 Torr; Ambient temperature;

Reference yield: 74.0%

1-trityl-4-(2-cyanoethyl)imidazole (154312-79-5) → 3-[imidazol-4(5)-yl]propylamine (40546-33-6)

Guidance literature:

With hydrogen; platinum(IV) oxide; In tetrahydrofuran; ethanol; chloroform; for 4h; under 3800 Torr;

Reference yield: 62.0%

3-(3H-imidazol-4-yl)acrylonitrile → 3-[imidazol-4(5)-yl]propylamine (40546-33-6) + C12H19N5

Guidance literature:

With ammonia; hydrogen; In ethanol; water;

DOI:10.3390/molecules27020545

upstream raw materials:

[3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-propyl]-guanidine; hydrochloride

1-trityl-4-(2-cyanoethyl)imidazole

3-(1-Trityl-1H-imidazol-4-yl)-propionitrile

3-(1H-Imidazol-4-yl)propannitril

Downstream raw materials:

N-(2-benzylthio)ethyl-N'-cyano-N-<3-(imidazol-4-yl)propyl>guanidine oxalate

C₂₇H₃₆N₈O₅

C₂₆H₃₅N₉O₅

1-<4-<(1,3-Dihydro-5-methyl-2-oxo-3H-imidazol-4-yl)carbonyl>phenyl>-N²-<3-(1H-imidazol-4-yl)propyl>diaminomethylene>carbamic acid tert-butyl ester

Refernces

• 1、 Igel, Patrick,Geyer, Roland,Strasser, Andrea,Dove, Stefan,Seifert, Roland,Buschauer, Armin. "Synthesis and structure-activity relationships of cyanoguanidine-type and structurally related histamine H4 receptor agonists". experimental part. p. 6297 - 6313. Retrieved 2010/03/24.
• 2、 Buschauer,Lachenmayr,Schunack. "Synthesis and histamine H2-receptor activity of heterocyclic impromidine analogues.". . p. 86 - 91. Retrieved 2007/10/02.