Hydroxybenzamidine

Base Information

• Chemical Name: Hydroxybenzamidine
• CAS No.: 45744-18-1
• Molecular Formula: C7H8N2O
• Molecular Weight: 136.153
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID70420897
• Nikkaji Number: J384.000J
• Wikidata: Q82232204
• Mol file: 45744-18-1.mol

Synonyms:hydroxybenzamidine;45744-18-1;2-Hydroxybenzamidine;Benzenecarboximidamide, 2-hydroxy-;2-hydroxybenzenecarboximidamide;2-hydroxybenzene-1-carboximidamide;2-HYDROXY-BENZAMIDINE;amidinophenol;SCHEMBL652876;DTXSID70420897;IYELGEUXPAPULN-UHFFFAOYSA-N;FT-0760061;EN300-304887

Chemical Property of Hydroxybenzamidine

Chemical Property:

• Melting Point: 97.5°C
• Refractive Index: 1.5660 (estimate)
• Boiling Point: 250.42°C (rough estimate)
• PSA: 69.11000
• Density: 1.1778 (rough estimate)
• LogP: 1.21110
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.063662883
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxybenzamidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=N)N)O

Technology Process of Hydroxybenzamidine

There total 9 articles about Hydroxybenzamidine 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: 94.0%

N',2-dihydroxybenzimidamide (6005-58-9) → hydroxybenzamidine (45744-18-1)

Guidance literature:

With ammonium chloride; zinc; In methanol; ethanol; Solvent; Reflux;

Reference yield:

o-(benzyloxy)benzonitrile (74511-44-7) → hydroxybenzamidine (45744-18-1)

Guidance literature:

With trimethylaluminum; ammonium chloride; In toluene; at 0 - 20 ℃; for 2h;

o-(benzyloxy)benzonitrile; In toluene; at 80 ℃; for 20h;

With sodium hydroxide; In methanol; water; Sonographic reaction;

Reference yield:

N',2-dihydroxybenzamidine → hydroxybenzamidine (45744-18-1)

Guidance literature:

N',2-dihydroxybenzamidine; With acetic anhydride; acetic acid; at 40 - 50 ℃; for 0.75h;

With palladium 10% on activated carbon; hydrogen; for 4h; under 3000.3 Torr;

upstream raw materials:

ethyl 2-hydroxybenzimidate hydrochloride

4-[(2-hydroxy-phenyl)-methylsulfanyl-methylene]-morpholinium; iodide

3-amino-1,2-benzisoxazole

6-bromo-3-amino-1,2-benzisoxazole

Downstream raw materials:

2-hydroxybenzene-1-carboximidamide hydrochloride

2-(2-hydroxyphenyl)-6-methyl-4(3H)-pyrimidinone

Refernces

• 1、 -. "NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM". . . Retrieved 2015/07/15.
• 2、 -. "PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION". Page/Page column 127-128. . Retrieved 2010/02/11.