3,5-Dimethylpyridine-N-oxide

Base Information

• Chemical Name: 3,5-Dimethylpyridine-N-oxide
• CAS No.: 3718-65-8
• Molecular Formula: C7H9 N O
• Molecular Weight: 123.155
• Hs Code.: 2933399090
• European Community (EC) Number: 628-076-6
• NSC Number: 272271
• DSSTox Substance ID: DTXSID50190662
• Nikkaji Number: J304.699K
• Mol file: 3718-65-8.mol

Synonyms:3718-65-8;3,5-DIMETHYLPYRIDINE-N-OXIDE;3,5-Dimethylpyridine N-oxide;3,5-dimethylpyridine 1-oxide;3,5-Dimethylpyridine-1-oxide;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridin-1-ium-1-olate;MFCD00126839;Pyridine, 3,5-dimethyl-, 1-oxide;NSC272271;6-Aminobenzo[d]thiazole;3,5-Lutidine N-Oxide;3,5-dimethylpyridine1-oxide;SCHEMBL891864;3,5-dimethyl-pyridine-N-oxide;DTXSID50190662;SSTLCMOZTCLOLQ-UHFFFAOYSA-N;3,5-dimethyl-1-oxido-pyridin-1-ium;3,5-Dimethylpyridine N-oxide, 97%;AKOS025394655;NSC 272271;NSC-272271;SB40491;AS-35977;SY099170;D5469;FT-0692019;EN300-227369;A874167

Chemical Property of 3,5-Dimethylpyridine-N-oxide

Chemical Property:

• Vapor Pressure: 0.00362mmHg at 25°C
• Melting Point: 100-104 °C(lit.)
• Boiling Point: 290.4°Cat760mmHg
• PKA: pK1:1.181(+1) (25°C)
• Flash Point: 129.4°C
• PSA: 25.46000
• Density: 1g/cm³
• LogP: 1.73190
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 84.9

Purity/Quality:

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

3,5-LutidineN-Oxide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C[N+](=C1)[O-])C
• Uses: 3,5-Lutidine N-Oxide is used as a reagent in the synthesis of 3,5-Dimethyl-4-nitropyridine 1-Oxide (D473635); an intermediate used to prepare 2-[(2-pyridylmethyl)thio or -sulfinyl]benzimidazoles as antiulcer agents. 3,5-Dimethylpyridine N-oxide may be used to synthesize isotactic poly(NIPAAm)s [NIPAAm = N-isopropylacrylamide].

Technology Process of 3,5-Dimethylpyridine-N-oxide

There total 3 articles about 3,5-Dimethylpyridine-N-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: 98.3%

3,5-Lutidine (591-22-0) → 3,5-Dimethylpyridine N-oxide (3718-65-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In Isopropyl acetate; at 10 - 35 ℃; for 5.83333h; Green chemistry;

DOI:10.1021/acs.oprd.8b00358

Reference yield:

3,5-Lutidine (591-22-0) + Na2 SO3 → 3,5-Dimethylpyridine N-oxide (3718-65-8)

Guidance literature:

With peracetic acid; sodium hydroxide; In chloroform; water; acetic acid;

Reference yield:

→ 3,5-Dimethylpyridine N-oxide (3718-65-8)

Guidance literature:

3,5-Dimethyl-pyridin, H2O2, wss. Eg., 70-80grad;

DOI:10.1039/jr9600004953

upstream raw materials:

3,5-Lutidine

Downstream raw materials:

3,5-dimethyl-2-phenylpyridine 1-oxide

2-(cyclohexyl-1-ol)-3,5-dimethylpyridine 1-oxide

2-amino-3,5-dimethylpyridine

3,5-dimethyl-2-ethoxycarbonylaminopyridine

Refernces

• 1、 -. "Method for synthesizing pyridine-N-oxide through catalytic oxidation by continuous non-solvent method". Paragraph 0051-0057. . Retrieved 2020/08/06.
• 2、 -. "A pyridine nitrogen oxide high-efficient, multi-phase catalytic preparation method". Paragraph 0053; 0057; 0058; 0059; 0060; 0097; 0101-0103. . Retrieved 2017/08/25.