CAS No.: 131860-97-4 — (E)-Methyl 2-(2-((6-chloropyrimidin-4-yl)oxy)phenyl)-3-methoxyacrylate ((E)-2-[2-(6-氯嘧啶-4-基氧)苯基]-3-甲氧基丙烯酸甲酯)

1. Primary Information

English name:	(E)-Methyl 2-(2-((6-chloropyrimidin-4-yl)oxy)phenyl)-3-methoxyacrylate
CAS No.:	131860-97-4
Molecular formula:	C₁₅H₁₃ClN₂O₄
Molecular weight:	320.73 g/mol
SMILES:	COC=C(C1=CC=CC=C1OC2=CC(=NC=N2)Cl)C(=O)OC
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	97%	25	-20℃	in stock	-
Kehua Intelligence	5g	97%	44	-20℃	in stock	-
Kehua Intelligence	25g	97%	166	-20℃	in stock	-
Kehua Intelligence	100g	97%	480	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 36 0 0 0 0 0 0 0999 V2000 5.4247 0.2521 -1.9042 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4703 -0.2114 -0.9133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 0.1032 -1.6849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 1.4447 2.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2349 2.3066 -1.0325 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9276 0.2287 0.8361 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2895 0.4575 0.4164 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4885 -0.6610 0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3007 -1.0683 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 0.7273 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 -1.5441 1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 -2.3887 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8394 -2.8643 1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6467 -3.2866 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8248 1.1653 -0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 1.6698 1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 0.0129 -0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7812 0.0005 -1.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 0.2323 -0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2032 0.4418 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 0.3767 -2.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0568 2.6052 2.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1951 -1.2296 1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -2.7380 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4388 -3.5638 1.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3184 -4.3153 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9326 2.6990 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -0.1787 -2.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3727 0.6207 2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9060 0.7283 -2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0551 -0.5537 -3.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4487 1.1149 -3.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7174 3.4023 2.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 2.9573 1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 2.3463 3.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 5 15 2 0 0 0 0 6 17 1 0 0 0 0 6 20 2 0 0 0 0 7 19 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl (E)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]-3-methoxyprop-2-enoate

4.2 InChI

InChI=1S/C15H13ClN2O4/c1-20-8-11(15(19)21-2)10-5-3-4-6-12(10)22-14-7-13(16)17-9-18-14/h3-9H,1-2H3/b11-8+

4.3 InChIKey

YRYZZSRRDCTETP-DHZHZOJOSA-N

4.4 Canonical SMILES

COC=C(C1=CC=CC=C1OC2=CC(=NC=N2)Cl)C(=O)OC

4.5 Isomeric SMILES

CO/C=C(\C1=CC=CC=C1OC2=CC(=NC=N2)Cl)/C(=O)OC

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)