Dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate

Base Information

• Chemical Name: Dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate
• CAS No.: 77234-00-5
• Molecular Formula: C17H17NO4
• Molecular Weight: 299.326
• DSSTox Substance ID: DTXSID40449818
• Nikkaji Number: J412.747A
• Wikidata: Q82269339
• Mol file: 77234-00-5.mol

Synonyms:dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate;77234-00-5;3,5-dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate;2,6-Dimethyl-4-phenyl pyridine-3,5-dicarboxylic acid dimethyl ester;SCHEMBL5166558;DTXSID40449818;ZRODZECCHZZHBO-UHFFFAOYSA-N;MFCD03175222;AKOS003014543;LS-05670;CS-0364985;F73532;dimethyl2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate;2,6-Dimethyl-4-phenyl-3,5-pyridinedicarboxylic acid dimethyl ester

Chemical Property of Dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate

Chemical Property:

• Melting Point: 136-138 °C
• Boiling Point: 393.2±42.0 °C(Predicted)
• PKA: 2.74±0.28(Predicted)
• PSA: 65.49000
• Density: 1.167±0.06 g/cm3(Predicted)
• LogP: 2.93860
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 299.11575802
• Heavy Atom Count: 22
• Complexity: 378

Purity/Quality:

98%min ^*data from raw suppliers

Dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate ^*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)C)C(=O)OC)C2=CC=CC=C2)C(=O)OC

Technology Process of Dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate

There total 19 articles about Dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate 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: 100.0%

dimethyl 4-phenyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate (70677-78-0,103183-96-6,161838-96-6,192931-34-3) → dimethyl 4-phenyl-2,6-dimethyl-3,5-pyridinedicarboxylate (77234-00-5)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 100 ℃; for 0.0166667h; microwave irradiation;

DOI:10.1055/s-2006-926407

Reference yield: 90.0%

benzaldehyde (100-52-7) + acetoacetic acid methyl ester (105-45-3) → dimethyl 4-phenyl-2,6-dimethyl-3,5-pyridinedicarboxylate (77234-00-5)

Guidance literature:

With iron tungstate; ammonium acetate; In acetic acid; at 80 ℃; for 2h; Green chemistry;

DOI:10.1016/j.catcom.2017.09.027

Reference yield: 84.0%

dimethyl 4-phenyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate (70677-78-0,103183-96-6,161838-96-6,192931-34-3) → dimethyl 4-phenyl-2,6-dimethyl-3,5-pyridinedicarboxylate (77234-00-5) + dimethyl 1α,3-dimethyl-5β,8-diphenyl-2-azabicyclo<2.2.2>oct-2-ene-4,6α-dicarboxylate (105335-62-4)

Guidance literature:

With styrene; boron trifluoride diethyl etherate; In chloroform; at 0 - 10 ℃; for 3h; Yield given;

DOI:10.1021/jo00382a030

upstream raw materials:

dimethyl 4-phenyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate

allyl-trimethyl-silane

3,5-Bis-methoxycarbonyl-1,2,6-trimethyl-4-phenyl-pyridinium

dimethyl 1,4-dihydro-1,2,6-trimethyl-4-phenylpyridine-3,5-dicarboxylate

Downstream raw materials:

C₁₇H₁₉N₇O₂S₂