Ethyl 4-formylbenzimidate hydrochloride

Base Information

• Chemical Name: Ethyl 4-formylbenzimidate hydrochloride
• CAS No.: 65313-27-1
• Molecular Formula: C10H11NO2.ClH
• Molecular Weight: 213.664
• DSSTox Substance ID: DTXSID40496589
• Mol file: 65313-27-1.mol

Synonyms:65313-27-1;ethyl 4-formylbenzimidate hydrochloride;SCHEMBL9939515;DTXSID40496589;ZOFILVPMXUFSEP-UHFFFAOYSA-N;Ethyl 4-formylbenzene-1-carboximidate--hydrogen chloride (1/1)

Chemical Property of Ethyl 4-formylbenzimidate hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 213.0556563
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-formylbenzimidate hydrochloride

There total 1 articles about Ethyl 4-formylbenzimidate 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: 28.0%

ethanol (64-17-5) + 4-cyanobenzaldehyde (105-07-7) → ethyl 4-formylbenzimidate hydrochloride (65313-27-1)

Guidance literature:

With hydrogenchloride; In chloroform; at 0 - 5 ℃;

Reference yield: 64.0%

ethyl 4-formylbenzimidate hydrochloride (65313-27-1) → 4-amidino benzaldehyde hydrochloride (63476-93-7)

Guidance literature:

ethyl 4-formylbenzimidate hydrochloride; With potassium carbonate; In water;

With ammonium chloride; In methanol; water; for 5h; Reflux;

Reference yield:

ethyl 4-formylbenzimidate hydrochloride (65313-27-1) → 4-((hydroxyimino)methyl)benzamidine hydrochloride (1383179-86-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / water

1.2: 5 h / Reflux

2.1: hydroxylamine / water; acetonitrile / 1 h / 20 °C

With hydroxylamine; potassium carbonate; In water; acetonitrile;

upstream raw materials:

ethanol

4-cyanobenzaldehyde

Downstream raw materials:

4-amidino benzaldehyde hydrochloride

4-((hydroxyimino)methyl)benzamidine hydrochloride

Refernces