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CAS No.: | 638-00-6 |
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Name: | 2,4-DIMETHYLTHIOPHENE |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C6H8S |
Molecular Weight: | 112.196 |
Synonyms: | 2,4-Dimethylthiophene; |
EINECS: | 211-312-3 |
Density: | 1.006 g/cm3 |
Melting Point: | -66.9°C (estimate) |
Boiling Point: | 138.7 °C at 760 mmHg |
Flash Point: | 23 °C |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN 1993 |
PSA: | 28.24000 |
LogP: | 2.36490 |
Conditions | Yield |
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With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In diethyl ether for 22h; | 79% |
1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In tetrahydrofuran; diethyl ether Kumada coupling; Heating; |
Conditions | Yield |
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With potassium hydroxide; hydrazine hydrate In diethylene glycol | 76% |
Conditions | Yield |
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Stage #1: 3-Methylthiophene With 2,2,6,6-tetramethylpiperidinyl-lithium In tetrahydrofuran; pentane at -78℃; for 1h; Stage #2: methyl iodide In tetrahydrofuran at -78 - 20℃; for 4h; Further stages.; | 73% |
Stage #1: 3-Methylthiophene With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In diethyl ether; hexane at 0 - 20℃; for 3h; Stage #2: methyl iodide at 0 - 20℃; for 5h; | 68% |
Stage #1: 3-Methylthiophene With 2,2,6,6-tetramethyl-piperidine; tert.-butyl lithium In tetrahydrofuran; pentane at -78℃; for 1h; Stage #2: methyl iodide In tetrahydrofuran; pentane at -78 - 20℃; for 2h; |
Conditions | Yield |
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nickel 1,3-bis(diphenylphosphino)propane In diethyl ether for 22h; Heating; | 66% |
Conditions | Yield |
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Bildung ueber das Hydrazon; |
2,5-Dimethyl-[1,4]dithiin
2,4-dimethylthiophene
Conditions | Yield |
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With sulfur at 200℃; |
Conditions | Yield |
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With diphosphorus trisulfide | |
With phosphorous (V) sulfide |
Conditions | Yield |
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With sulfur at 260℃; |
methyloxirane
2,4-dimethylthiophene
Conditions | Yield |
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With aluminum oxide; hydrogen sulfide at 400℃; |
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The Thiophene, 2, 4-dimethyl-, with the CAS registry number 638-00-6, is also known as 2, 4-Dimethyl thiophene. Its EINECS registry number is 211-312-3. This chemical's molecular formula is C6H8S and molecular weight is 112.19. What's more, its IUPAC name is 2, 4-Dimethylthiophene. Besides, this chemical is highly flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition.
Physical properties about Thiophene, 2, 4-dimethyl- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.38; (6)ACD/BCF (pH 7.4): 81.38; (7)ACD/KOC (pH 5.5): 811.24; (8)ACD/KOC (pH 7.4): 811.24; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.24 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 34.28 cm3; (15)Molar Volume: 111.4 cm3; (16)Polarizability: 13.59×10-24 cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 1.006 g/cm3; (19)Flash Point: 23 °C; (20)Enthalpy of Vaporization: 36.05 kJ/mol; (21)Boiling Point: 138.7 °C at 760 mmHg; (22)Vapour Pressure: 8.26 mmHg at 25 °C.
Preparation of Thiophene, 2, 4-dimethyl-: this chemical is prepared by reaction of 4-Bromo-2-methyl-thiophene with Methylmagnesium iodide by heating. This reaction needs catalyst Nickel 1, 3-bis(diphenylphosphino)propane and solvent Diethyl ether. The reaction time is 22 hours. The yield is about 66 %.
Uses of Thiophene, 2, 4-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 2, 4-Dibromo-3, 5-dimethyl-thiophene at ambient temperature. The reaction needs reagent Br2. The reaction time is 3 minutes. The yield is about 96 %.
You can still convert the following datas into molecular structure:
(1) SMILES: s1c(cc(c1)C)C
(2) InChI: InChI=1/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
(3) InChIKey: CPULIKNSOUFMPL-UHFFFAOYAR