N-Cyanomethanimidic methyl ester

Base Information

• Chemical Name: N-Cyanomethanimidic methyl ester
• CAS No.: 51688-22-3
• Molecular Formula: C3H4N2O
• Molecular Weight: 84.08
• Hs Code.: 2926909090
• European Community (EC) Number: 610-715-5
• DSSTox Substance ID: DTXSID70432475
• Mol file: 51688-22-3.mol

Synonyms:N-CYANOMETHANIMIDIC METHYL ESTER;methyl N-cyanomethanimidate;51688-22-3;(E)-methyl N-cyanoformimidate;DTXSID70432475;ODSJRSDWANAFRF-HWKANZROSA-N;AKOS006277554

Chemical Property of N-Cyanomethanimidic methyl ester

Chemical Property:

• Vapor Pressure: 58.8mmHg at 25°C
• Refractive Index: 1.429
• Boiling Point: 89.4°C at 760 mmHg
• PKA: -3.66±0.50(Predicted)
• Flash Point: 7.9°C
• PSA: 45.38000
• Density: 0.96g/cm³
• LogP: 0.14218
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 84.032362755
• Heavy Atom Count: 6
• Complexity: 88.2

Purity/Quality:

98% ^*data from raw suppliers

N-CYANOMETHANIMIDIC METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC=NC#N

Technology Process of N-Cyanomethanimidic methyl ester

There total 1 articles about N-Cyanomethanimidic methyl ester 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: 96.2%

CYANAMID (420-04-2) + trimethyl orthoformate (149-73-5) → methyl cyanoimidoformate (51688-22-3)

Guidance literature:

at 110 ℃; for 10h; Temperature;

Reference yield: 80.0%

9-benzylguanine (14937-72-5) + methyl cyanoimidoformate (51688-22-3) → 8-amino-3-benzyl-9,10-dihydro-10-oxo-3H-1,3,5-triazino<1,2-a>purine (96412-44-1)

Guidance literature:

With sodium methylate; In methanol; for 16h; Ambient temperature;

DOI:10.1021/jo00214a013

Reference yield: 76.0%

methyl cyanoimidoformate (51688-22-3) + 2-amino-6-(benzylmethylamino)-4-pyrimidinol (37409-94-2) → 4-amino-8-(benzylmethylamino)-6-oxo-6H-pyrimido<1,2-a>-1,3,5-triazine (96575-89-2)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 16h;

DOI:10.1021/jo00214a014

upstream raw materials:

CYANAMID

trimethyl orthoformate

Downstream raw materials:

8-amino-3-benzyl-9,10-dihydro-10-oxo-3H-1,3,5-triazino<1,2-a>purine

8-amino-3-benzyl-2-bromo-9,10-dihydro-10-oxo-3H-1,3,5-triazino<1,2-a>purine

4-amino-8-(benzylmethylamino)-6-oxo-6H-pyrimido<1,2-a>-1,3,5-triazine

8-((3aR,6S,6aS)-2,2-Dimethyl-6-trityloxymethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-pyrazolo[1,5-a][1,3,5]triazin-4-ylamine

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