1-Isoproxypropyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile

Base Information

Chemical Name:1-Isoproxypropyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile
CAS No.:68612-94-2
Molecular Formula:C₁₃H₁₈N₂O₃
Molecular Weight:250.298
Hs Code.:2933399090
European Community (EC) Number:411-990-2
DSSTox Substance ID:DTXSID20579006
Wikidata:Q72486387
Mol file:68612-94-2.mol

Synonyms:68612-94-2;1-ISOPROXYPROPYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-3-PYRIDINECARBONITRILE;2-hydroxy-4-methyl-6-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile;3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone;6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-pyridine-3-carbonitrile;6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile;2-OXO-3-PYRIDINECARBONITRILE;EC 411-990-2;SCHEMBL6244194;DTXSID20579006;PTPMVSMJQWEBHQ-UHFFFAOYSA-N;VSQJORHLXHADFP-UHFFFAOYSA-N;AMY21842;AKOS015841703;1,2-Dihydro-6-hydroxy-4-methyl-1-(3-(1-methylethoxy)propyl)-2-oxo-3-pyridinecarbonitrile;AC-22508;A9126;NS00001399;3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methylpyridone;3-Pyridinecarbonitrile, 1-isoproxypropyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-;6-Hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

Suppliers and Price of 1-Isoproxypropyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-ISOPROXYPROPYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-3-PYRIDINECARBONITRILE 95.00%
10G
$ 1334.03

AHH
1-Isoproxypropyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3pyridinecarbonitrile 98%
25g
$ 898.00

Total 45 raw suppliers

Chemical Property of 1-Isoproxypropyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile

Chemical Property:

Vapor Pressure:1.16E-07mmHg at 25°C
Refractive Index:1.538
Boiling Point:389.066 °C at 760 mmHg
Flash Point:189.101 °C
PSA：75.25000
Density:1.178 g/cm³
LogP:1.54908
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:250.13174244
Heavy Atom Count:18
Complexity:440

Purity/Quality:

99.9% ^*data from raw suppliers

1-ISOPROXYPROPYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-3-PYRIDINECARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 43
Safety Statements: 24-37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)N(C(=C1C#N)O)CCCOC(C)C

Technology Process of 1-Isoproxypropyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile

There total 1 articles about 1-Isoproxypropyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile 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:

: 105-45-3
acetoacetic acid methyl ester

: 105-34-0
methyl 2-cyanoacetate

: 2906-12-9
3-Isopropoxy-propylamin

: 68612-94-2
6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Guidance literature:: methyl 2-cyanoacetate; 3-Isopropoxy-propylamin; at 80 ℃; for 6.5h;

acetoacetic acid methyl ester; at 80 ℃; for 5.5h;

Reference yield: 50.0%

: 3-azido-3-ethyl-1,3-benzothiazolium-tetrafluoroborat

: 68612-94-2
6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

: (2-Amino-3-ethylbenzothiazolium)-5-cyano-3-(2-(5-cyano-1,2,3,6-tetrahydro-4-methyl-1-<3-(1-methylethyloxy)propyl>-2,6-dioxopyridin-3-yliden)hydrazino)-1,6-dihydro-4-methyl-1-<3-(1-methylethyloxy)propyl>-6-oxopyridin-2-olat

Guidance literature:: With sodium acetate; In water; acetone; for 4h; Ambient temperature; pH 3;
DOI:10.1002/hlca.19940770124

Reference yield:

: 68612-94-2
6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

: 1-(3-isopropoxypropyl)-6-(3-methoxypropylamino)-4-methyl-5-((2-nitrophenyl)diazenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: trichlorophosphate / 3 h / Reflux

2.1: ethanol / 2 h / Reflux

3.1: hydrogenchloride; sodium nitrite / water / 0.5 h / -5 °C

3.2: 3.25 h / 0 - 5 °C

With hydrogenchloride; sodium nitrite; trichlorophosphate; In ethanol; water;
DOI:10.1016/j.dyepig.2017.01.052