Formamidine

Base Information

• Chemical Name: Formamidine
• CAS No.: 463-52-5
• Molecular Formula: CH4N2
• Molecular Weight: 44.0562
• Hs Code.: 2925290090
• UNII: M8KP3Q82AG
• DSSTox Substance ID: DTXSID00870543
• Nikkaji Number: J231.841E
• Wikidata: Q27117873
• Metabolomics Workbench ID: 55883
• Mol file: 463-52-5.mol

Synonyms:formamidine;formamidine acetate;formamidine hydrochloride;formamidinium;methanimidamide

Chemical Property of Formamidine

Chemical Property:

• Melting Point: 81°C
• Boiling Point: 46.3 °C at 760 mmHg
• PKA: 11.60±0.40(Predicted)
• Flash Point: °C
• PSA: 49.87000
• Density: 1.07 g/cm³
• LogP: 0.35220
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 44.037448136
• Heavy Atom Count: 3
• Complexity: 10.3

Purity/Quality:

99% ^*data from raw suppliers

FORMAMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=N)N

Technology Process of Formamidine

There total 35 articles about Formamidine 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: 77.0%

3,5-dimethoxybenzylamine (34967-24-3) + C8H9N5O2 → 5-(3,5-dimethoxyphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole + formamidine (463-52-5)

Guidance literature:

With tert.-butylhydroperoxide; iodine; In N,N-dimethyl-formamide; at 80 ℃; for 12h;

DOI:10.1021/acs.joc.1c00704

Reference yield: 76.0%

C8H9N5O2 + benzylamine (100-46-9) → 3-(3-nitrophenyl)-5-phenyl-1H-1,2,4-triazole + formamidine (463-52-5)

Guidance literature:

With tert.-butylhydroperoxide; iodine; In N,N-dimethyl-formamide; at 80 ℃; for 12h;

DOI:10.1021/acs.joc.1c00704

Reference yield: 74.0%

3,5-difluorobenzylamine (90390-27-5) + benzaldehyde diaminomethylenehydrazone (3357-37-7) → 5-(3,5-difluorophenyl)-3-phenyl-1H-1,2,4-triazole + formamidine (463-52-5)

Guidance literature:

With tert.-butylhydroperoxide; iodine; In N,N-dimethyl-formamide; at 80 ℃; for 12h;

DOI:10.1021/acs.joc.1c00704

upstream raw materials:

formimidic acid ethyl ester

formamide

aniline

CYANAMID

Downstream raw materials:

desbutyl-desthiomethyl-terbutryn

3-amino-2-cyano-acrylic acid ethyl ester

benzoimidazole

benzoxazole

Refernces

Facile derivatization of a chemo-active NHC incorporating an enolate backbone and relevant tuning of its electronic properties

10.1021/om1003607

The research aims to develop a modular synthetic route for a new type of anionic N-heterocyclic carbene (NHC) ligand incorporating an enolate group as a reactive backbone component. This design allows for further tailoring of the ligand's electronic properties even after complexation with transition metals. The study uses key chemicals such as formamidines (Ar-NH-CHdNAr), chloroacetyl chloride, and various electrophiles like pivaloyl chloride, methyl triflate, and triflic anhydride. The researchers also employ transition metals like rhodium and copper in the form of [RhCl(1,5-COD)]2 and CuCl. The purpose is to create NHC ligands with tunable electronic properties through post-functionalization, which can be applied in catalysis. The conclusions show that the electronic properties of the NHC ligands can be effectively modulated over a relatively broad range by adding various electrophiles to the enolate backbone, either at the oxygen or carbon. This provides a versatile method for optimizing catalyst performance in transition metal complex catalyzed reactions.

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