4-Ethoxy-N-hydroxybenzimidamide

Base Information

• Chemical Name: 4-Ethoxy-N-hydroxybenzimidamide
• CAS No.: 49773-26-4
• Molecular Formula: C9H12N2O2
• Molecular Weight: 180.2
• European Community (EC) Number: 826-912-6
• Mol file: 49773-26-4.mol

Synonyms:4-Ethoxy-N-hydroxybenzimidamide;4-ETHOXY-N-HYDROXY-BENZAMIDINE;49773-26-4;4-ethoxy-N'-hydroxybenzenecarboximidamide;(Z)-4-ethoxy-N'-hydroxybenzene-1-carboximidamide;SCHEMBL18897302;BBL006531;MFCD09048780;STL124851;AKOS000132670;MCULE-4307228879;VS-01630;4-ethoxy-N'-hydroxybenzene-1-carboximidamide;CS-0253615;EN300-6476938;A827846

Chemical Property of 4-Ethoxy-N-hydroxybenzimidamide

Chemical Property:

• PSA: 67.84000
• LogP: 1.88010
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.089877630
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

4-Ethoxy-N-hydroxybenzimidamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(=NO)N
• Isomeric SMILES: CCOC1=CC=C(C=C1)/C(=N/O)/N

Technology Process of 4-Ethoxy-N-hydroxybenzimidamide

There total 2 articles about 4-Ethoxy-N-hydroxybenzimidamide 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: 75.0%

4-ethoxybenzonitrile (25117-74-2) → 4-ethoxy-N'-hydroxybenzimidamide (49773-26-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; water; for 8h; Reflux;

DOI:10.1016/j.ejmech.2010.02.021

Reference yield:

4-ethoxybenzonitrile (25117-74-2) → 4-Aethoxy-benzoesaeure-amid-oxim (49773-26-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; Heating;

DOI:10.1021/jm50018a009

Reference yield: 72.0%

4-ethoxy-N'-hydroxybenzimidamide (49773-26-4) + chloroacetyl chloride (79-04-9) → 5-(chloromethyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole (937626-96-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1,1-dichloroethane; at 0 ℃; Reflux;

DOI:10.1016/j.ejmech.2010.02.021

upstream raw materials:

4-ethoxybenzonitrile

Downstream raw materials:

N-(3-chloro-propionyloxy)-4-ethoxy-benzamidine

5-(chloromethyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole

{5-chloro-2-[(3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl)-methoxy]-phenyl}-(phenyl)-methanone

Refernces

• 1、 Naro, Yuta,Ankenbruck, Nicholas,Thomas, Meryl,Tivon, Yaniv,Connelly, Colleen M.,Gardner, Laura,Deiters, Alexander. "Small Molecule Inhibition of MicroRNA miR-21 Rescues Chemosensitivity of Renal-Cell Carcinoma to Topotecan". . p. 5900 - 5909. Retrieved 2018/08/04.
• 2、 Rai, Neithnadka Premsai,Narayanaswamy, Venugopala Katharigatta,Govender, Thavendran,Manuprasad,Shashikanth, Sheena,Arunachalam, Pirama Nayagam. "Design, synthesis, characterization, and antibacterial activity of {5-chloro-2-[(3-substitutedphenyl-1,2,4-oxadiazol-5-yl)-methoxy]-phenyl} -(phenyl)-methanones". experimental part. p. 2677 - 2682. Retrieved 2010/07/09.