Nicotinonitrile, 2-chloro-4-(methoxymethyl)-6-methyl-5-nitro-

Base Information

• Chemical Name: Nicotinonitrile, 2-chloro-4-(methoxymethyl)-6-methyl-5-nitro-
• CAS No.: 719-48-2
• Molecular Formula: C₉H₈ClN₃O₃
• Molecular Weight: 241.634
• Hs Code.: 2933399090
• NSC Number: 23794
• UNII: 729GXY4JGW
• DSSTox Substance ID: DTXSID90222158
• Nikkaji Number: J34.584I
• Wikidata: Q83100327
• Mol file: 719-48-2.mol

Synonyms:719-48-2;2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile;NICOTINONITRILE, 2-CHLORO-4-(METHOXYMETHYL)-6-METHYL-5-NITRO-;3-Pyridinecarbonitrile, 2-chloro-4-(methoxymethyl)-6-methyl-5-nitro-;2-Chloro-3-cyano-4-(methoxymethyl)-6-methyl-5-nitropyridine;NSC 23794;BRN 0239915;729GXY4JGW;2-Chloro-4-(methoxymethyl)-6-methyl-5-nitronicotinonitrile;6-CHLORO-5-CYANO-4-METHOXYMETHYL-3-NITRO-2-PICOLINE;MFCD00065221;NSC-23794;5-22-05-00143 (Beilstein Handbook Reference);2-Chloro-4-methoxymethyl-6-methyl-5-nitro-nicotinonitrile;2-chloro-4-(methoxymethyl)-6-methyl-5-nitro-3-pyridinecarbonitrile;NSC23794;UNII-729GXY4JGW;CBDivE_000670;SCHEMBL11488290;DTXSID90222158;BBL028103;STK749214;AKOS001592707;LS-96646;VS-08668;A837364;SR-01000427684;SR-01000427684-1;2-Chloro-3-cyano-4-methoxymethyl-5-nitro-6-methylpyridine;2-methyl-3-nitro-4-methoxymethyl-5-cyano-6-chloropyridine;2-Chloro-4-(methoxymethyl)-6-methyl-5-nitronicotinonitrile #;2-chloranyl-4-(methoxymethyl)-6-methyl-5-nitro-pyridine-3-carbonitrile;Pyridine-3-carbonitrile, 2-chloro-4-(methoxymethyl)-6-methyl-5-nitro-

Chemical Property of Nicotinonitrile, 2-chloro-4-(methoxymethyl)-6-methyl-5-nitro-

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Boiling Point: 336°C at 760 mmHg
• Flash Point: 157°C
• PSA: 91.73000
• Density: 1.41g/cm³
• LogP: 2.49288
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 241.0254188
• Heavy Atom Count: 16
• Complexity: 311

Purity/Quality:

99% ^*data from raw suppliers

2-CHLORO-4-(METHOXYMETHYL)-6-METHYL-5-NITROPYRIDINE-3-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=N1)Cl)C#N)COC)[N+](=O)[O-]

Technology Process of Nicotinonitrile, 2-chloro-4-(methoxymethyl)-6-methyl-5-nitro-

There total 5 articles about Nicotinonitrile, 2-chloro-4-(methoxymethyl)-6-methyl-5-nitro- 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: 89.0%

4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile (6281-75-0) → 2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile (719-48-2)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 0 - 55 ℃;

DOI:10.1016/j.molstruc.2010.06.012

Reference yield:

2-hydroxy-4-methoxymethyl-6-methyl-5-nitro-nicotinonitrile (6281-75-0) → 2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile (719-48-2)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate;

DOI:10.1021/ja01240a026

Reference yield:

2-hydroxy-4-methoxymethyl-6-methyl-nicotinonitrile (6339-38-4) → 2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile (719-48-2)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid anhydride; fuming HNO₃

2: chlorobenzene; PCl₅

With phosphorus pentachloride; nitric acid; acetic anhydride; chlorobenzene;

DOI:10.1246/bcsj.19.1

upstream raw materials:

2-hydroxy-4-methoxymethyl-6-methyl-5-nitro-nicotinonitrile

2-hydroxy-4-methoxymethyl-6-methyl-nicotinonitrile

1-methoxypentane-2,4-dione

4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile

Downstream raw materials:

3-amino-5-aminomethyl-4-methoxymethyl-2-methylpyridine

5-amino-2-chloro-4-methoxymethyl-6-methyl-nicotinonitrile

Refernces