6-(3,5-Dimethylpiperidin-1-yl)-4-methyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-propyl-1,2-dihydropyridine-3-carbonitrile

Base Information

• Chemical Name: 6-(3,5-Dimethylpiperidin-1-yl)-4-methyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-propyl-1,2-dihydropyridine-3-carbonitrile
• CAS No.: 7064-32-6
• Molecular Formula: C26H36N4O2S2
• Molecular Weight: 179.606
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50990861
• Mol file: 7064-32-6.mol

Synonyms:DTXSID50990861;6-(3,5-Dimethylpiperidin-1-yl)-4-methyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-propyl-1,2-dihydropyridine-3-carbonitrile

Chemical Property of 6-(3,5-Dimethylpiperidin-1-yl)-4-methyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-propyl-1,2-dihydropyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 2.66E-10mmHg at 25°C
• Boiling Point: 504.4°Cat760mmHg
• Flash Point: 258.9°C
• PSA: 26.03000
• Density: 1.24g/cm³
• LogP: 2.99500
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 500.22796875
• Heavy Atom Count: 34
• Complexity: 994

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-Chlorophenyl)isoxazole Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CCC)N3CC(CC(C3)C)C)SC1=S

Technology Process of 6-(3,5-Dimethylpiperidin-1-yl)-4-methyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-propyl-1,2-dihydropyridine-3-carbonitrile

There total 16 articles about 6-(3,5-Dimethylpiperidin-1-yl)-4-methyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-propyl-1,2-dihydropyridine-3-carbonitrile 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%

3-dimethylamino-1(4-chloro-phenyl)-2-propen-1-one (28587-05-5) → 5-(4-chlorophenyl)-1,2-oxazole (7064-32-6)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; at 25 ℃; for 0.5h; Sonication;

DOI:10.1002/jhet.2016

Reference yield: 85.0%

C16H14ClN → 5-(4-chlorophenyl)-1,2-oxazole (7064-32-6)

Guidance literature:

With N-hydroxyphthalimide; [bis(acetoxy)iodo]benzene; In ethyl acetate; at 20 ℃; for 12h;

DOI:10.1016/j.tetlet.2018.04.062

Reference yield: 81.0%

(2E)-3-(dimethylamino)-1-(4-chlorophenyl)prop-2-en-1-one (67382-35-8,28587-05-5) → 5-(4-chlorophenyl)-1,2-oxazole (7064-32-6)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; at 78 ℃; for 16h;

DOI:10.1002/jhet.5570450337

upstream raw materials:

1-chloro-3-(4-chlorophenyl)-3-oxoprop-1-ene

para-chloroacetophenone

3-dimethylamino-1(4-chloro-phenyl)-2-propen-1-one

1-[(E)-1-(4-Chloro-phenyl)-3-dimethylamino-prop-2-en-(E)-ylideneamino]-4,6-diphenyl-1H-pyridin-2-one

Downstream raw materials:

5-(4-chloro-3-nitro-phenyl)-isoxazole

Refernces

• 1、 Debbarma, Suvankar,Bera, Sourav Sekhar,Maji, Modhu Sudan. "Harnessing Stereospecific Z-Enamides through Silver-Free Cp?Rh(III) Catalysis by Using Isoxazoles as Masked Electrophiles". . p. 835 - 839. Retrieved 2019/01/26.
• 2、 Zhang, Yicheng,Chen, Wei,Jia, Xueshun. "A novel synthesis of 5-substituted isoxazoles from propargylic amines and N-hydroxyphthalimide". supporting information. p. 2181 - 2183. Retrieved 2018/05/08.