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| CAS No.: | 4282-34-2 |
|---|---|
| Name: | 2,5-Thiophenedicarboxylic acid dimethyl ester |
| Molecular Structure: | |
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| Formula: | C8H8O4S |
| Molecular Weight: | 200.215 |
| Synonyms: | Dimethyl 2,5-thiophenedicarboxylate;2,5-Thiophenedicarboxylicacid, dimethyl ester (6CI,7CI,8CI,9CI);2,5-Bismethoxycarbonylthiophene; |
| Density: | 1.294 g/cm3 |
| Melting Point: | 148.5-149.5 °C |
| Boiling Point: | 291.6 °C at 760 mmHg |
| Flash Point: | 130.2 °C |
| PSA: | 80.84000 |
| LogP: | 1.32130 |
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Specification
The 2, 5-Thiophenedicarboxylicacid, 2, 5-dimethyl ester, with the CAS registry number of 4282-34-2, is also known as Thiophene-2, 5-dicarboxylic acid dimethyl ester. This chemical's molecular formula is C8H8O4S and molecular weight is 200.21172. What's more, its systematic name is called Dimethyl thiophene-2, 5-dicarboxylate.
Physical properties about 2, 5-Thiophenedicarboxylicacid, 2, 5-dimethyl ester are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.7; (6)ACD/BCF (pH 7.4): 18.7; (7)ACD/KOC (pH 5.5): 283.1; (8)ACD/KOC (pH 7.4): 283.1; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 80.84 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 48.18 cm3; (15)Molar Volume: 154.6 cm3; (16)Surface Tension: 44.7 dyne/cm; (17)Density: 1.294 g/cm3; (18)Flash Point: 130.2 °C; (19)Enthalpy of Vaporization: 53.11 kJ/mol; (20)Boiling Point: 291.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00193 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Thiophene-2, 5-dicarboxylic acid with Diazomethane. The yield is about 77.5 %.
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Uses of 2, 5-Thiophenedicarboxylicacid, 2, 5-dimethyl ester: it is used to produce other chemicals. For example, it is used to produce 1-(5-Pent-4-enoyl-thiophen-2-yl)-pent-4-en-1-one. The reaction needs reagent CuCN and solvent Tetrahydrofuran. The reaction temperature is -78-0 °C. The yield is about 59 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1sc(C(=O)OC)cc1
(2) InChI: InChI=1/C8H8O4S/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h3-4H,1-2H3
(3) InChIKey: CYUGNCLRGFKPAE-UHFFFAOYAW