3,5-Dimethyl 4-(2-chloro-3-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate

Base Information

Chemical Name:3,5-Dimethyl 4-(2-chloro-3-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CAS No.:112969-06-9
Molecular Formula:C₁₇H₁₇ClN₂O₆
Molecular Weight:380.785
Hs Code.:
ChEMBL ID:CHEMBL177144
DSSTox Substance ID:DTXSID401122401

Synonyms:CHEMBL177144;DTXSID401122401;3,5-Dimethyl 4-(2-chloro-3-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate;112969-06-9

Suppliers and Price of 3,5-Dimethyl 4-(2-chloro-3-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate

Supply Marketing:

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

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Chemical Property of 3,5-Dimethyl 4-(2-chloro-3-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:380.0775140
Heavy Atom Count:26
Complexity:643

Purity/Quality:

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=C(C(=CC=C2)[N+](=O)[O-])Cl)C(=O)OC

Technology Process of 3,5-Dimethyl 4-(2-chloro-3-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate

There total 3 articles about 3,5-Dimethyl 4-(2-chloro-3-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate 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: 16.0%

: 58755-57-0
2-chloro-3-nitrobenzaldehyde

: 105-45-3
acetoacetic acid methyl ester

: 112969-06-9
4-(2-chloro-3-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid dimethyl ester

Guidance literature:: With ammonium hydroxide; In ethanol; for 18h; Heating;
DOI:10.1021/jm00400a008

Reference yield:

: 89639-98-5
(2-chloro-3-nitrophenyl)methanol

: 112969-06-9
4-(2-chloro-3-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid dimethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 79 percent

2: 16 percent / conc. NH₄OH / ethanol / 18 h / Heating

With ammonium hydroxide; In ethanol;
DOI:10.1021/jm00400a008

Reference yield:

: 3970-35-2
2-chloro-3-nitrobezoic acid

: 112969-06-9
4-(2-chloro-3-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid dimethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / ethyl chloroformate, Et₃N / tetrahydrofuran / 1 h / Ambient temperature

2: 79 percent

3: 16 percent / conc. NH₄OH / ethanol / 18 h / Heating

With ammonium hydroxide; chloroformic acid ethyl ester; triethylamine; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00400a008