Methyl 4-formylbenzimidate hydrochloride

Base Information

• Chemical Name: Methyl 4-formylbenzimidate hydrochloride
• CAS No.: 66739-90-0
• Molecular Formula: C₉H₉NO₂*ClH
• Molecular Weight: 199.637
• Mol file: 66739-90-0.mol

Synonyms:66739-90-0;METHYL 4-FORMYLBENZIMIDATE HYDROCHLORIDE;AKOS006303659

Chemical Property of Methyl 4-formylbenzimidate hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 4-formylbenzimidate hydrochloride

There total 2 articles about Methyl 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:

methanol (67-56-1) + 4-cyanobenzaldehyde (105-07-7) → 4-Methoxyiminocarbonylbenzaldehyd-Hydrochlorid (66739-90-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; diethyl ether; for 16h;

DOI:10.1021/jm990456v

Reference yield:

→ 4-Methoxyiminocarbonylbenzaldehyd-Hydrochlorid (66739-90-0)

Guidance literature:

aus 4-Cyanobenzaldehyd, Me.(abs.), HCl(Gas);

Reference yield:

4-Methoxyiminocarbonylbenzaldehyd-Hydrochlorid (66739-90-0) → C27H32N4O

Guidance literature:

Multi-step reaction with 3 steps

1: NH₃ (g) / methanol / 1.5 h / Heating

2: 3 N aq. HCl / 3 h / 100 °C

3: methanol / 3 h / UV-irradiation

With hydrogenchloride; ammonia; In methanol; 1: Substitution / 2: Condensation / 3: Isomerization;

DOI:10.1021/jm990456v

upstream raw materials:

methanol

4-cyanobenzaldehyde

Downstream raw materials:

4-amidinobenzaldehyde

2,5-Bis-<4-amidinobenzyliden>-cyclopentanon-1

2,6-Bis-<4-amidinobenzyliden>-cyclohexanon-1

2,6-Bis-(3-amidinobenzyliden)-cycloheptanon-1