Butylguanidine monohydrochloride

Base Information

• Chemical Name: Butylguanidine monohydrochloride
• CAS No.: 19341-56-1
• Molecular Formula: C5H13 N3 . Cl H
• Molecular Weight: 151.639
• Hs Code.: 2925290090
• European Community (EC) Number: 242-975-7
• DSSTox Substance ID: DTXSID70172945
• Mol file: 19341-56-1.mol

Synonyms:Butylguanidine monohydrochloride;19341-56-1;Butylguanidine HCl;2-butylguanidine;hydrochloride;EINECS 242-975-7;1-butylguanidine hydrochloride;SCHEMBL394301;DTXSID70172945;PBWYKHZQEJXPAA-UHFFFAOYSA-N

Chemical Property of Butylguanidine monohydrochloride

Chemical Property:

• Vapor Pressure: 0.117mmHg at 25°C
• Boiling Point: 219.9°Cat760mmHg
• Flash Point: 86.8°C
• PSA: 61.90000
• Density: g/cm³
• LogP: 2.26250
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 151.0876252
• Heavy Atom Count: 9
• Complexity: 73.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN=C(N)N.Cl

Technology Process of Butylguanidine monohydrochloride

There total 7 articles about Butylguanidine monohydrochloride 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: 99.0%

1H-pyrazole-1-carboximidamide hydrochloride (4023-02-3) + N-butylamine (109-73-9,85404-21-3) → n-butylguanidine hydrochloride (19341-56-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃;

DOI:10.1021/acs.orglett.1c03473

Reference yield: 98.0%

4-[1-(1H-pyrazol-1-yl-iminomethyl)triazen-3-yl]phenyl-cellulose + N-butylamine (109-73-9,85404-21-3) → n-butylguanidine hydrochloride (19341-56-1)

Guidance literature:

4-[1-(1H-pyrazol-1-yl-iminomethyl)triazen-3-yl]phenyl-cellulose; N-butylamine; In ethanol; for 12h; Heating;

With hydrogenchloride; In water; for 3h;

DOI:10.1021/ol047926m

Reference yield: 89.0%

N,N''-bis(tert-butoxycarbonyl)-N'-(butyl)guanidine (158478-68-3) → n-butylguanidine hydrochloride (19341-56-1)

Guidance literature:

With tin(IV) chloride; In ethyl acetate; for 3h; Ambient temperature;

DOI:10.1016/S0040-4039(97)10148-4

upstream raw materials:

N,N''-bis(tert-butoxycarbonyl)-N'-(butyl)guanidine

N-butylamine

1H-pyrazole-1-carboximidamide hydrochloride

benzylamine

Downstream raw materials:

Butyl-(4-phenyl-5,6-dihydro-benzo[h]quinazolin-2-yl)-amine

Butyl-{4-phenyl-8-[1-phenyl-meth-(E)-ylidene]-3,4,5,6,7,8-hexahydro-quinazolin-2-yl}-amine

Refernces

• 1、 An, Taeyang,Lee, Yan. "Nucleophilic Substitution at the Guanidine Carbon Center via Guanidine Cyclic Diimide Activation". supporting information. p. 9163 - 9167. Retrieved 2021/11/24.
• 2、 -. "Aryl- and Heteroaryl-Ethyl-Acylguanidine Derivatives, Their Preparation and Their Application in Therapeutics". Page/Page column 21-22. . Retrieved 2009/08/18.