4-Formylbenzimidamide hydrochloride

Base Information

• Chemical Name: 4-Formylbenzimidamide hydrochloride
• CAS No.: 63476-93-7
• Molecular Formula: C8H9ClN2O
• Molecular Weight: 184.625
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID20496587
• Mol file: 63476-93-7.mol

Synonyms:63476-93-7;4-Formylbenzimidamide hydrochloride;4-FORMYL BENZAMIDINE HCL;4-Formyl benzamidine hydrochloride;4-formylbenzenecarboximidamide;hydrochloride;4-Formyl benzamidine, HCl;4-Formylbenzimidamidehydrochloride;4-formylbenzamidine hydrochloride;4-Formylbenzamidine HCl;SCHEMBL7434029;DTXSID20496587;MFCD02183589;AKOS016005469;AB11535;AC-6423;AS-48760;A8738;CS-0170925;FT-0694999;F58592;4-Formylbenzene-1-carboximidamide--hydrogen chloride (1/1)

Chemical Property of 4-Formylbenzimidamide hydrochloride

Chemical Property:

• Vapor Pressure: 0.000259mmHg at 25°C
• Boiling Point: 318.8 °C at 760 mmHg
• Flash Point: 146.6 °C
• PSA: 66.94000
• LogP: 2.38520
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.0403406
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

4-FormylbenzamidineHydrochloride ^*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: C1=CC(=CC=C1C=O)C(=N)N.Cl

Technology Process of 4-Formylbenzimidamide hydrochloride

There total 2 articles about 4-Formylbenzimidamide 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: 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:

4-cyanobenzaldehyde (105-07-7) → 4-amidino benzaldehyde hydrochloride (63476-93-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / chloroform / 0 - 5 °C

2.1: potassium carbonate / water

2.2: 5 h / Reflux

With hydrogenchloride; potassium carbonate; In chloroform; water;

Reference yield: 93.0%

4-amidino benzaldehyde hydrochloride (63476-93-7) → 4-((hydroxyimino)methyl)benzamidine hydrochloride (1383179-86-9)

Guidance literature:

With hydroxylamine; In water; acetonitrile; at 20 ℃; for 1h;

upstream raw materials:

4-cyanobenzaldehyde

ethyl 4-formylbenzimidate hydrochloride

Downstream raw materials:

2-(4-Amidinobenzyliden)indan-1,3-dion-hydrochlorid

2-(4-Amidinobenzyliden)indan-1,3-dion * H₃PO₄

4-(4-Amidinobenzyliden)-2-phenyl-<5-14C>-oxazolin-5-onhydrogensulfat

Bis<5,5-dimethyl-1,3-dioxocyclohex-2-yl>-4-amidinophenylmethan * H3PO4

Refernces