3-Methoxybenzamidine hydrochloride

Base Information

• Chemical Name: 3-Methoxybenzamidine hydrochloride
• CAS No.: 26113-44-0
• Molecular Formula: C8H10 N2 O . Cl H
• Molecular Weight: 186.641
• Hs Code.: 2925290090
• European Community (EC) Number: 840-504-5
• DSSTox Substance ID: DTXSID70499003
• Mol file: 26113-44-0.mol

Synonyms:3-Methoxybenzamidine hydrochloride;26113-44-0;3-Methoxy-benzamidine hydrochloride;3-methoxybenzene-1-carboximidamide hydrochloride;3-methoxybenzenecarboximidamide;hydrochloride;3-Methoxybenzamidine, HCl;MFCD04114430;Benzenecarboximidamide, 3-methoxy-, hydrochloride (1:1);3-METHOXYBENZIMIDAMIDE HYDROCHLORIDE;3-METHOXYBENZAMIDINE HCL;3-Methoxybenzamidinehydrochloride;3-methoxybenzenecarboximidamide hydrochloride;SCHEMBL427173;DTXSID70499003;AMY39292;AKOS015846054;AB18305;CS-W003169;DS-0095;SY030994;FT-0692207;EN300-69670;A818175;J-512781;Benzenecarboximidamide,3-methoxy-,hydrochloride(1:1);Z1263714060;3-Methoxybenzene-1-carboximidamide--hydrogen chloride (1/1)

Chemical Property of 3-Methoxybenzamidine hydrochloride

Chemical Property:

• Vapor Pressure: 0.000874mmHg at 25°C
• Melting Point: 165-166 °C
• Boiling Point: 299.8°C at 760 mmHg
• Flash Point: 135.1°C
• PSA: 59.10000
• LogP: 2.58130
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.0559907
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

98% ^*data from raw suppliers

3-Methoxybenzamidinehydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(=N)N.Cl
• Uses: 3-Methoxybenzamidine, HCl

Technology Process of 3-Methoxybenzamidine hydrochloride

There total 2 articles about 3-Methoxybenzamidine 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: 74.0%

ethyl 3-methoxybenzenecarboximidoate hydrochloride → 3-methoxybenzene-1-carboximidamide hydrogenchloride (26113-44-0)

Guidance literature:

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

DOI:10.1016/j.tet.2014.01.019

Reference yield:

3-methoxybenzonitrile (1527-89-5) → 3-methoxybenzene-1-carboximidamide hydrogenchloride (26113-44-0)

Guidance literature:

With hydrogenchloride; ethanol; chloroform; Erwaermen des nach 2 Tagen isolierten 3-Methoxy-benzimidsaeure-aethylester-hydrochlorids mit aethanol. Ammoniak;

DOI:10.1039/jr9460000362

Reference yield: 90.0%

3-methoxybenzene-1-carboximidamide hydrogenchloride (26113-44-0) + phenyl isothiocyanate (103-72-0) + N,N,N',N'-tetramethylguanidine (80-70-6) → 6-(3-methoxyphenyl)-N2,N2-dimethyl-N4-phenyl-1,3,5-triazine-2,4-diamine

Guidance literature:

With tert.-butylhydroperoxide; In dimethyl sulfoxide; at 25 ℃; for 0.166667h;

upstream raw materials:

3-methoxybenzonitrile

Downstream raw materials:

4-chloro-2-(3-methoxy-phenyl)-6-methyl-pyrimidine

(E)-5-(3,4-dichlorobenzylidene)-2-(3-methoxyphenyl)-5,6-dihydropyrimidin-4(3H)-one

(E)-5-(3,5-dimethylbenzylidene)-2-(3-methoxyphenyl)-5,6-dihydropyrimidin-4(3H)-one

(E)-5-benzylidene-2-(3-methoxyphenyl)-5,6-dihydropyrimidin-4(3H)-one

Refernces