1-(4-Fluorophenyl)biguanide hydrochloride

Base Information

• Chemical Name: 1-(4-Fluorophenyl)biguanide hydrochloride
• CAS No.: 16018-83-0
• Molecular Formula: C₈H₁₀FN₅*ClH
• Molecular Weight: 231.66
• Hs Code.: 2925290090
• European Community (EC) Number: 622-663-0
• DSSTox Substance ID: DTXSID50166827
• Mol file: 16018-83-0.mol

Synonyms:16018-83-0;1-(4-Fluorophenyl)biguanide hydrochloride;1-(4-Fluorophenyl)biguanide, HCl;1-carbamimidamido-N-(4-fluorophenyl)methanimidamide hydrochloride;1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride;SCHEMBL16702582;DTXSID50166827;Imidodicarbonimidic diamide, N-(4-fluorophenyl)-, hydrochloride (1:1);MFCD00051986;AKOS008967752;PS-7699;1-(4-Fluorophenyl)biguanidehydrochloride;1-(4-Fluorophenyl)biguanidine hydrochloride;CS-0212018;FT-0605719;EN300-11849;1-(4-Fluorophenyl)biguanide hydrochloride, 97%;A810119;Z57040093

Chemical Property of 1-(4-Fluorophenyl)biguanide hydrochloride

Chemical Property:

• Melting Point: 250-254 °C(lit.)
• Boiling Point: 396.3°Cat760mmHg
• Flash Point: 193.5°C
• PSA: 97.78000
• Density: g/cm³
• LogP: 2.82110
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.0687012
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

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

1-(4-Fluorophenyl)biguanide hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C(N)N=C(N)N)F.Cl

Technology Process of 1-(4-Fluorophenyl)biguanide hydrochloride

There total 2 articles about 1-(4-Fluorophenyl)biguanide hydrochloride 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: 89.0%

N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) + 4-fluoroaniline (371-40-4) → 1-carbamimidamido-N-(4-fluorophenyl)methanimidamide hydrochloride (16018-83-0,1258254-49-7)

Guidance literature:

With hydrogenchloride; In water; iso-butanol; for 24h;

DOI:10.1002/cmdc.201800554

Reference yield:

→ 1-carbamimidamido-N-(4-fluorophenyl)methanimidamide hydrochloride (16018-83-0,1258254-49-7)

Guidance literature:

With hydrogenchloride; In butan-1-ol; for 2h; Reflux;

Reference yield: 85.0%

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2) + 1-carbamimidamido-N-(4-fluorophenyl)methanimidamide hydrochloride (16018-83-0,1258254-49-7) → N2-(4-fluorophenyl)-6-(perfluoropropyl)-1,3,5-triazine-2,4-diamine

Guidance literature:

1-carbamimidamido-N-(4-fluorophenyl)methanimidamide hydrochloride; With sodium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane; In N,N-dimethyl-formamide; at 20 ℃; Irradiation;

DOI:10.1021/acs.orglett.9b00655

upstream raw materials:

N-Cyanoguanidine

4-fluoroaniline

Downstream raw materials:

1-carbamimidamido-N-(4-fluorophenyl)methanimidamide

Refernces

• 1、 Poirier, Marion,Awale, Mahendra,Roelli, Matthias A.,Giuffredi, Guy T.,Ruddigkeit, Lars,Evensen, Lasse,Stooss, Amandine,Calarco, Serafina,Lorens, James B.,Charles, Roch-Philippe,Reymond, Jean-Louis. "Identifying Lysophosphatidic Acid Acyltransferase β (LPAAT-β) as the Target of a Nanomolar Angiogenesis Inhibitor from a Phenotypic Screen Using the Polypharmacology Browser PPB2". supporting information. p. 224 - 236. Retrieved 2018/12/13.
• 2、 -. "BIGUANIDE COMPOUNDS AND USE THEREOF". Paragraph 0356; 0357; 0359; 0360. . Retrieved 2015/05/13.