N',3-Dihydroxy-4-methoxybenzenecarboximidamide

Base Information

• Chemical Name: N',3-Dihydroxy-4-methoxybenzenecarboximidamide
• CAS No.: 352330-51-9
• Molecular Formula: C8H10N2O3
• Molecular Weight: 182.1766
• European Community (EC) Number: 681-990-7
• ChEMBL ID: CHEMBL1506999
• Mol file: 352330-51-9.mol

Synonyms:N,3-Dihydroxy-4-methoxybenzimidamide;352330-51-9;SMR000207723;N',3-Dihydroxy-4-methoxybenzenecarboximidamide;MLS000585942;CHEMBL1506999;HFPJMJWKZLRGNZ-UHFFFAOYSA-N;HMS1375J09;HMS2581B19;AKOS001748428;Benzamidine, 3,N-dihydroxy-4-methoxy-;N',3-Dihydroxy-4-methoxybenzenecarboximidamide #;(Z)-N'3-DIHYDROXY-4-METHOXYBENZENE-1-CARBOXIMIDAMIDE

Chemical Property of N',3-Dihydroxy-4-methoxybenzenecarboximidamide

Chemical Property:

• PSA: 88.07000
• LogP: 1.19560
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 182.06914219
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

4-Hydroxy-3-methoxybenzamidoxime Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=NO)N)O
• Isomeric SMILES: COC1=C(C=C(C=C1)/C(=N/O)/N)O

Technology Process of N',3-Dihydroxy-4-methoxybenzenecarboximidamide

There total 3 articles about N',3-Dihydroxy-4-methoxybenzenecarboximidamide 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:

2-methoxy-5-cyanophenol (52805-46-6) → C8H10N2O3 (352330-51-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; water; at 0 ℃; for 18h; Reflux;

DOI:10.1111/j.1747-0285.2011.01304.x

Reference yield:

isovanillin (621-59-0) → C8H10N2O3 (352330-51-9)

Guidance literature:

Multi-step reaction with 2 steps

1: formic acid; hydroxylamine hydrochloride; sodium formate / 3 h / 125 °C

2: hydroxylamine hydrochloride; sodium hydroxide / ethanol; water / 18 h / 0 °C / Reflux

With formic acid; hydroxylamine hydrochloride; sodium formate; sodium hydroxide; In ethanol; water;

DOI:10.1111/j.1747-0285.2011.01304.x

Reference yield:

1-ethynyl-3-hydroxy-4-methoxybenzene (871940-23-7) → C8H10N2O3 (352330-51-9)

Guidance literature:

With sodium hydroxide; hydroxylamine hydrochloride; In ethanol; water; at 0 ℃; Reflux;

DOI:10.1016/j.bmcl.2009.03.158

upstream raw materials:

1-ethynyl-3-hydroxy-4-methoxybenzene

isovanillin

2-methoxy-5-cyanophenol

Downstream raw materials:

5-(5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl)-2-methoxyphenol

Refernces

• 1、 Kumar, Dalip,Patel, Gautam,Johnson, Emmanuel O.,Shah, Kavita. "Synthesis and anticancer activities of novel 3,5-disubstituted-1,2,4-oxadiazoles". experimental part. p. 2739 - 2741. Retrieved 2009/12/31.