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Thiophene,2,4-dimethyl-

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Name

Thiophene,2,4-dimethyl-

EINECS 211-312-3
CAS No. 638-00-6 Density 1.006 g/cm3
PSA 28.24000 LogP 2.36490
Solubility N/A Melting Point -66.9°C (estimate)
Formula C6H8S Boiling Point 138.7 °C at 760 mmHg
Molecular Weight 112.196 Flash Point 23 °C
Transport Information UN 1993 Appearance N/A
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 638-00-6 (2,4-DIMETHYLTHIOPHENE) Hazard Symbols N/A
Synonyms

2,4-Dimethylthiophene;

Article Data 25

Thiophene,2,4-dimethyl- Synthetic route

29421-92-9

4-bromo-2-methylthiophene

676-58-4

methylmagnesium chloride

638-00-6

2,4-dimethylthiophene

Conditions
ConditionsYield
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;
932-93-4

thiophene-2,4-dicarbaldehyde

638-00-6

2,4-dimethylthiophene

Conditions
ConditionsYield
With potassium hydroxide; hydrazine hydrate In diethylene glycol76%
616-44-4

3-Methylthiophene

74-88-4

methyl iodide

638-00-6

2,4-dimethylthiophene

Conditions
ConditionsYield
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;
917-64-6

methyl magnesium iodide

29421-92-9

4-bromo-2-methylthiophene

638-00-6

2,4-dimethylthiophene

Conditions
ConditionsYield
nickel 1,3-bis(diphenylphosphino)propane In diethyl ether for 22h; Heating;66%
6030-36-0

4-methylthiophene-2-carbaldehyde

638-00-6

2,4-dimethylthiophene

Conditions
ConditionsYield
Bildung ueber das Hydrazon;
78334-38-0

2,5-Dimethyl-[1,4]dithiin

638-00-6

2,4-dimethylthiophene

141-79-7

4-methyl-pent-3-en-2-one

638-00-6

2,4-dimethylthiophene

Conditions
ConditionsYield
With sulfur at 200℃;
6641-83-4

2-methyl-4-oxopentanoic acid

638-00-6

2,4-dimethylthiophene

Conditions
ConditionsYield
With diphosphorus trisulfide
With phosphorous (V) sulfide
1118-58-7

1,3-Dimethyl-1,3-butadien

638-00-6

2,4-dimethylthiophene

Conditions
ConditionsYield
With sulfur at 260℃;
75-56-9, 16033-71-9

methyloxirane

638-00-6

2,4-dimethylthiophene

Conditions
ConditionsYield
With aluminum oxide; hydrogen sulfide at 400℃;

Thiophene,2,4-dimethyl- Specification

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 %.

The Thiophene, 2, 4-dimethyl- can be obtained by 4-Bromo-2-methyl-thiophene and Methylmagnesium iodide.

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 %.

Thiophene, 2, 4-dimethyl- can be used to produce 2, 4-Dibromo-3, 5-dimethyl-thiophene.

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

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