Pentanimidamide

Base Information

• Chemical Name: Pentanimidamide
• CAS No.: 109-51-3
• Molecular Formula: C5H12 N2
• Molecular Weight: 100.164
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID40399288
• Nikkaji Number: J1.268.073B
• Wikidata: Q82201730
• Mol file: 109-51-3.mol

Synonyms:Pentanimidamide;109-51-3;Pentanamidine;valeramidine;MFCD05663348;valeroamidine;butyl formamidine;SCHEMBL1795496;DTXSID40399288;LPXCHPSTROLSJX-UHFFFAOYSA-N;AKOS000179282;AS-56485;SY020380;CS-0046978;EN300-304824;W16181;A895015

Chemical Property of Pentanimidamide

Chemical Property:

• Vapor Pressure: 5.72mmHg at 25°C
• Refractive Index: 1.467
• Boiling Point: 141.9°C at 760 mmHg
• Flash Point: 39.6°C
• PSA: 49.87000
• Density: 0.95g/cm³
• LogP: 1.91260
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 100.100048391
• Heavy Atom Count: 7
• Complexity: 59.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pentanimidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=N)N

Technology Process of Pentanimidamide

There total 2 articles about Pentanimidamide 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: 96.1%

pentanonitrile (110-59-8) → pentanimidamide (109-51-3)

Guidance literature:

pentanonitrile; With hydrogenchloride; In ethanol; at 20 ℃;

With ammonia; In ethanol; at 20 ℃; for 0.166667h;

Reference yield: 30.0%

pentanonitrile (110-59-8) + propamidine (39800-84-5) + propiononitrile (107-12-0) → pentanimidamide (109-51-3)

Guidance literature:

Reference yield: 65.8%

pentanimidamide (109-51-3) + 2-bromo-4'-fluoroacetophenone (403-29-2) → 2-butyl-4-(4-fluorophenyl)-1H-imidazole (1313233-68-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 3h;

upstream raw materials:

pentanonitrile

propamidine

propiononitrile

Downstream raw materials:

n-butane

2-n-butyl-4-chloro-1H-imidazol-5-carboxaldehyde

2-butyl-5-chloro-1H-imidazole

2-butyl-4-(4-fluorophenyl)-1H-imidazole

Refernces

• 1、 -. "Pyrimidinone derivatives". . . Retrieved 2008/06/13.