3-AMINO-6-(CHLOROMETHYL)-2-PYRAZINECARBONITRILE 4-OXIDE

Base Information

• Chemical Name: 3-AMINO-6-(CHLOROMETHYL)-2-PYRAZINECARBONITRILE 4-OXIDE
• CAS No.: 40127-89-7
• Molecular Formula: C6H5 Cl N4 O
• Molecular Weight: 184.585
• Hs Code.: 2933990090
• Mol file: 40127-89-7.mol

Synonyms:Pyrazinecarbonitrile,3-amino-6-(chloromethyl)-, 4-oxide (9CI); 2-Amino-3-cyano-5-chloromethylpyrazine1-oxide; 3-Amino-6-chloromethyl-2-(pyrazin-4-oxide)carbonitrile

Chemical Property of 3-AMINO-6-(CHLOROMETHYL)-2-PYRAZINECARBONITRILE 4-OXIDE

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 144-146oC(lit.)
• Boiling Point: 594.424°C at 760 mmHg
• PKA: -0.72±0.53(Predicted)
• Flash Point: 313.297°C
• PSA: 88.16000
• Density: 1.588g/cm³
• LogP: 1.28398
• Storage Temp.: -20°C
• Solubility.: DMSO: soluble100mg/mL, clear, brown

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide may be used in chemical synthesis studies.

Technology Process of 3-AMINO-6-(CHLOROMETHYL)-2-PYRAZINECARBONITRILE 4-OXIDE

There total 1 articles about 3-AMINO-6-(CHLOROMETHYL)-2-PYRAZINECARBONITRILE 4-OXIDE 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:

→ 3-amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide (40127-89-7)

Guidance literature:

Aminomalononitril-tosylat u. β-Chlorpyruvaldoxim;

DOI:10.1021/jo00956a018

Reference yield: 92.0%

3-amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide (40127-89-7) → 2-Amino-5-chloromethylpyrazine-3-carbonitrile (40127-91-1)

Guidance literature:

With gallium; In water; for 3h; Heating;

DOI:10.1081/SCC-200028619

Reference yield:

3-amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide (40127-89-7) → N-[p-(dimethylamino)phenyl]-α-(2-amino-3-cyano-5-pyrazinyl)nitrone (64440-76-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 86.7 percent / PCl₃ / tetrahydrofuran / 0.75 h / 20 °C

2: 79.5 percent / 17.5 h / 20 °C

3: 75.7 percent / aq. K₂CO₃ / ethanol / 0.5 h / 20 °C

With potassium carbonate; phosphorus trichloride; In tetrahydrofuran; ethanol;

DOI:10.1021/jf025571k

Downstream raw materials:

2-Amino-5-chloromethylpyrazine-3-carbonitrile

2-amino-3-cyano-5-formylpyrazine

N-[p-(dimethylamino)phenyl]-α-(2-amino-3-cyano-5-pyrazinyl)nitrone

2,4-diamino-6-methoxymethylpteridine