4-Fluorobenzamidine Hydrochloride

Base Information

• Chemical Name: 4-Fluorobenzamidine Hydrochloride
• CAS No.: 456-14-4
• Molecular Formula: C7H7FN2^.HCl
• Molecular Weight: 174.605
• Hs Code.: 2925290090
• European Community (EC) Number: 692-202-6,808-113-4
• DSSTox Substance ID: DTXSID10499002
• Mol file: 456-14-4.mol

Synonyms:4-Fluorobenzamidine Hydrochloride;456-14-4;4-Fluorobenzimidamide hydrochloride;4-Fluoro-benzamidine hydrochloride;4-Fluorobenzamidine HCl;4-fluorobenzene-1-carboximidamide hydrochloride;Benzenecarboximidamide, 4-fluoro-, monohydrochloride;4-Fluorobenzenecarboximidamide hydrochloride;4-fluorobenzenecarboximidamide;hydrochloride;MFCD04114421;4-Fluoro-Benzamidine Hcl H2O;SCHEMBL1019443;4-fluorobenzimidamidehydrochloride;DTXSID10499002;JQDATBKJKUWNGA-UHFFFAOYSA-N;4-fluorobenzamidine hydrogen chloride;AKOS015849050;AB18284;CS-W017476;BL000527;CS-10317;SY032215;AM20060446;F0959;FT-0647422;EN300-75699;4-fluoro-benzamidine hydrochloride, AldrichCPR;A826860;J-515395;Benzenecarboximidamide, 4-fluoro-, hydrochloride (1:1);F8889-9262;Z2289798423;4-Fluorobenzene-1-carboximidamide--hydrogen chloride (1/1)

Chemical Property of 4-Fluorobenzamidine Hydrochloride

Chemical Property:

• Vapor Pressure: 0.0255mmHg at 25°C
• Melting Point: 209.0 to 213.0 °C
• Boiling Point: 243.6 °C at 760 mmHg
• Flash Point: 101.1 °C
• PSA: 49.87000
• LogP: 2.71180
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.0360041
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

4-fluoro-benzamidine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=N)N)F.Cl
• Uses: 4-Fluorobenzamidine hydrochloride is used as pharmaceutical intermediate.

Technology Process of 4-Fluorobenzamidine Hydrochloride

There total 4 articles about 4-Fluorobenzamidine 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: 87.0%

ethyl 4-(fluorophenyl)carboximidate hydrochloride (4278-01-7) → 4-fluorobenzamidine hydrochloride (456-14-4)

Guidance literature:

With ammonia; In methanol; ethanol; at 20 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tet.2014.01.019

Reference yield: 75.0%

4-fluoro-benzamidoxime (22179-78-8) → 4-fluorobenzamidine hydrochloride (456-14-4)

Guidance literature:

4-fluoro-benzamidoxime; With acetic anhydride; acetic acid; at 20 ℃; for 0.5h;

With triethylsilane; palladium dichloride; at 70 - 75 ℃; for 3h;

With hydrogenchloride; In ethanol;

DOI:10.1080/00397911.2010.488307

Reference yield:

4-fluorobenzamidic acid methylester hydrochloride salt (56108-05-5) → 4-fluorobenzamidine hydrochloride (456-14-4)

Guidance literature:

With ammonia; In ethanol; at 0 ℃; for 96h;

DOI:10.1021/jm00166a023

upstream raw materials:

4-fluorobenzamidic acid methylester hydrochloride salt

4-fluoro-benzamidoxime

ethyl 4-(fluorophenyl)carboximidate hydrochloride

Downstream raw materials:

2,4-Bis-(4-fluoro-phenyl)-6-isopropyl-1,4-dihydro-pyrimidine-5-carboxylic acid ethyl ester

4-methyl-2-(p-fluorophenyl)pyrimidine

2-(4-Fluoro-phenyl)-5,6,7,8-tetrahydro-quinazoline

2-(4-fluoro-phenyl)-4-phenyl-pyrimidine

Refernces

• 1、 Mahajan, Umesh S.,Godinde, Rupesh R.,Mandhare. "Preparation of amidines from amidoximes via transfer hydrogenation". experimental part. p. 2195 - 2199. Retrieved 2011/06/27.
• 2、 Medwid, Jeffrey B.,Paul, Rolf,Baker, Jannie S.,Brockman, John A.,Du, Mila T.,et al.. "Preparation of Triazolopyrimidines as Potential Antiasthma Agents". . p. 1230 - 1241. Retrieved 2007/10/02.