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1207-12-1

Basic Information
CAS No.: 1207-12-1
Name: 4,6-DIMETHYLDIBENZOTHIOPHENE
Article Data: 18
Molecular Structure:
Molecular Structure of 1207-12-1 (4,6-DIMETHYLDIBENZOTHIOPHENE)
Formula: C14H12S
Molecular Weight: 212.315
Synonyms: 4,6-DMDBT;
EINECS: 214-894-7
Density: 1.181 g/cm3
Melting Point: 153-157 °C(lit.)
Boiling Point: 364.9 °C at 760 mmHg
Flash Point: 130.2 °C
Appearance: light yellow to light brown crystalline solid
Safety: 24/25
PSA: 28.24000
LogP: 4.67130
Synthetic route
190841-62-4

Dimethyl-thiocarbamic acid O-(2'-dimethylthiocarbamoyloxy-3,3'-dimethyl-biphenyl-2-yl) ester

A

Dimethyl-thiocarbamic acid S-(2'-dimethylcarbamoylsulfanyl-3,3'-dimethyl-biphenyl-2-yl) ester

B

1207-12-1

4,6-dimethyldibenzothiophene

Conditions
ConditionsYield
at 285℃; for 0.366667h;A 80%
B 20%
5097-05-2

2,2′-sulfinylbis(methylbenzene)

1207-12-1

4,6-dimethyldibenzothiophene

Conditions
ConditionsYield
With ruthenium(III) chloride trihydrate; silver carbonate; trifluoroacetic acid at 140℃; for 20h; Inert atmosphere;78%
4537-05-7

di-o-tolyl sulfide

1207-12-1

4,6-dimethyldibenzothiophene

Conditions
ConditionsYield
With palladium(II) trifluoroacetate; silver(I) acetate; potassium carbonate at 130℃; for 24h; Schlenk technique;75%

3-methyl-2-[(2-methylphenyl)sulfanyl]cyclohex-2-en-1-one

A

1207-12-1

4,6-dimethyldibenzothiophene

B

89816-78-4

1,2,3,4-tetrahydro-4,6-dimethyldibenzo[b,d]thiophene

Conditions
ConditionsYield
With polyphosphonic acid; air at 150℃;A 60%
B 19%
132-65-0

dibenzothiophene

74-88-4

methyl iodide

1207-12-1

4,6-dimethyldibenzothiophene

Conditions
ConditionsYield
Stage #1: dibenzothiophene With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In hexane at -78℃;
Stage #2: methyl iodide
49%
With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In hexane at -15 - 20℃; for 12h;45%
With n-butyllithium; N,N,N,N,-tetramethylethylenediamine 1.) hexane, 60 deg C, 2 h, 2.) hexane, from -78 deg C to RT, 12 h; Yield given. Multistep reaction;
With n-butyllithium 1) Et2O; Multistep reaction;

2-methylphenyl 2-methyl-6-diazophenyl sulfide fluoroborate

1207-12-1

4,6-dimethyldibenzothiophene

Conditions
ConditionsYield
With copper In dimethyl sulfoxide for 2h; Ambient temperature;26%
32750-14-4

3,3'-dimethyl-[1,1'-biphenyl]-2,2'-diol

1207-12-1

4,6-dimethyldibenzothiophene

Conditions
ConditionsYield
With phosphorous (V) sulfide at 410℃;
Multi-step reaction with 2 steps
1: 85 percent / NaH / dimethylformamide / 1 h / 85 °C
2: 20 percent / 0.37 h / 285 °C
View Scheme
7372-88-5

4-methyldibenzothiophene

77-78-1

dimethyl sulfate

A

89816-99-9

4-Ethyldibenzothiophene

B

1207-12-1

4,6-dimethyldibenzothiophene

Conditions
ConditionsYield
With n-butyllithium 1) THF, Et2O, hexane, reflux, 1 h, 2) reflux, 1 h; Yield given. Multistep reaction. Yields of byproduct given;
137-06-4

2-thiocresol

591-24-2, 625-96-7

3-Methylcyclohexanone

A

89816-75-1

2,6-dimethyldibenzothiophene

B

1207-12-1

4,6-dimethyldibenzothiophene

Conditions
ConditionsYield
With sodium hydroxide; selenium; PPA; bromine Yield given. Multistep reaction. Yields of byproduct given;
32750-25-7

2,2'-dimethoxy-3,3'-dimethyl-1,1'-biphenyl

1207-12-1

4,6-dimethyldibenzothiophene

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 95 percent / BBr3 / CH2Cl2 / 4 h / -78 - 20 °C
2: 85 percent / NaH / dimethylformamide / 1 h / 85 °C
3: 20 percent / 0.37 h / 285 °C
View Scheme
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  • Casno:

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Chemistry

Molecular Structure of 4,6-Dimethyldibenzothiophene (CAS No.1207-12-1):

Molecular Formula: C14H12
Molecular Weight: 212.3101
CAS No: 1207-12-1
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 28.24 Å2
Index of Refraction: 1.706
Molar Refractivity: 69.97 cm3
Molar Volume: 179.6 cm3
Surface Tension: 48.1 dyne/cm
Density: 1.181 g/cm3
Flash Point: 130.2 °C
Enthalpy of Vaporization: 58.71 kJ/mol
Boiling Point: 364.9 °C at 760 mmHg
Vapour Pressure: 3.42E-05 mmHg at 25°C
InChI: InChI=1/C14H12S/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h3-8H,1-2H3
InChIKey: MYAQZIAVOLKEGW-UHFFFAOYAM
Std. InChI: InChI=1S/C14H12S/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h3-8H,1-2H3
Std. InChIKey: MYAQZIAVOLKEGW-UHFFFAOYSA-N
IUPAC Name: 4,6-Dimethyldibenzothiophene  
Product Categories: API intermediates;Benzothiophenes;Building Blocks;Heterocyclic Building Blocks

Safety Profile

Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Specification

   4,6-Dimethyldibenzothiophene (CAS No.1207-12-1), its synonyms are Dibenzothiophene, 4,6-dimethyl- ; 4,6-Dimethyldibenzo[b,d]thiophene .