CAS No.: 67035-22-7 — Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate (4 - （2硝基苯基）-2,6 -二甲基吡啶-3,5二羧酸二甲酯)

1. Primary Information

English name:	Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate
CAS No.:	67035-22-7
Molecular formula:	C₁₇H₁₆N₂O₆
Molecular weight:	344.32 g/mol
SMILES:	CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
Structural class:
Other identifiers:	2,6-dimethyl-4-(ortho-nitrophenyl)-3,5-pyridinedicarboxylic aciddimenthyl ester 4-(2'-nitrophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid dimethyl ester 4-(2-nitrophenyl)-3,5-bis(carboxymethyl)-2,6-dimethylpyridine B 4759 DDNPC

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	HPLC≥98%	640	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 41 42 0 0 0 0 0 0 0999 V2000 2.9278 0.0463 -0.8273 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9287 0.0377 -0.8267 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1021 0.3097 1.4528 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 0.2983 1.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 -2.2923 -2.7090 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0006 -0.2023 -2.0239 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 3.2234 -0.0361 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -1.4338 -1.7975 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0004 0.4595 0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 1.1536 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 1.1491 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0023 -0.9744 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1446 2.5214 0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 2.5172 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 -1.8773 -0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 -1.4439 1.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3994 3.3235 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 3.3145 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 0.4751 0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 0.4658 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 -3.2496 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 -2.8161 2.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0063 -3.7189 1.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -0.6380 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1848 -0.6486 -0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 -0.7554 2.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 4.3835 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 3.2473 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 2.9846 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0016 2.9739 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1864 4.3754 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0112 3.2354 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 -3.9873 -0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 -3.1816 3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 -4.7873 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1308 -1.5481 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3995 -0.9151 -1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9804 0.0203 -0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1288 -1.5594 -0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3996 -0.9249 -1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9811 0.0081 -0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 21 2 0 0 0 0 16 22 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 2 5 -1 8 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate

4.2 InChI

InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)