3-Hydroxybenzamidine hydrochloride

Base Information

• Chemical Name: 3-Hydroxybenzamidine hydrochloride
• CAS No.: 63502-89-6
• Molecular Formula: C7H8N2O.ClH
• Molecular Weight: 172.614
• Hs Code.: 2925290090
• European Community (EC) Number: 823-998-7
• DSSTox Substance ID: DTXSID90590985
• Mol file: 63502-89-6.mol

Synonyms:3-hydroxybenzamidine hydrochloride;63502-89-6;3-HYDROXYBENZENE-1-CARBOXIMIDAMIDE HYDROCHLORIDE;3-hydroxybenzenecarboximidamide;hydrochloride;3-hydroxybenzenecarboximidamide hydrochloride;SCHEMBL3909792;3-hydroxybenzamidinehydrochloride;DTXSID90590985;WAGGXXBNIACBLQ-UHFFFAOYSA-N;3-Hydroxybenzimidamide hydrochloride;MFCD09954378;AKOS005073841;AB55570;SS-3847;EN300-80248;A868119;J-512645;Z1592024758;3-Hydroxybenzene-1-carboximidamide--hydrogen chloride (1/1)

Chemical Property of 3-Hydroxybenzamidine hydrochloride

Chemical Property:

• PSA: 70.10000
• LogP: 2.27830
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0403406
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

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

3-HydroxybenzamidineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxybenzamidine hydrochloride

There total 1 articles about 3-Hydroxybenzamidine 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: 81.0%

m-cyanophenol (873-62-1) → m-hydroxybenzamidine hydrochloride (63502-89-6)

Guidance literature:

m-cyanophenol; With hydrogenchloride; In methanol; for 2h;

With ammonia; In ethanol; at 20 - 60 ℃; for 4h;

DOI:10.1039/c2jm34595a

Reference yield: 63.0%

2-(methoxymethylene)tetradecanal (1403574-94-6) + m-hydroxybenzamidine hydrochloride (63502-89-6) → 3-(5-dodecylpyrimidin-2-yl)phenol (1403575-02-9)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 14h; Inert atmosphere; Reflux;

DOI:10.1039/c2jm34595a

Reference yield: 43.0%

ethyl cycloheptanone-2-carboxylate (774-05-0) + m-hydroxybenzamidine hydrochloride (63502-89-6) → 2-(m-hydroxyphenyl)-5,6-pentamethylenepyrimidin-4(3H)-one (91272-21-8)

Guidance literature:

With sodium ethanolate; In ethanol; for 4h; Heating;

upstream raw materials:

m-cyanophenol

Downstream raw materials:

2-(m-hydroxyphenyl)-5,6-pentamethylenepyrimidin-4(3H)-one

N-t-butoxycarbonyl-3-hydroxybenzamidine

2-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol

3-(5-dodecylpyrimidin-2-yl)phenol

Refernces

• 1、 -. "HYDROXYPHENYL-SUBSTITUTED PYRROLO[2,3d]PYRIMIDINE DERIVATIVES, PROCESSES AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS". Page/Page column 32. . Retrieved 2010/01/12.