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Name	4,6-Dimethyldibenzothiophene	EINECS	214-894-7
CAS No.	1207-12-1	Density	1.181 g/cm³
PSA	28.24000	LogP	4.67130
Solubility	N/A	Melting Point	153-157 °C(lit.)
Formula	C₁₄H₁₂S	Boiling Point	364.9 °C at 760 mmHg
Molecular Weight	212.315	Flash Point	130.2 °C
Transport Information	N/A	Appearance	light yellow to light brown crystalline solid
Safety	24/25	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	4,6-DMDBT;	Article Data	18

4,6-Dimethyldibenzothiophene 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

Conditions	Yield
at 285℃; for 0.366667h;	A 80% B 20%

: 5097-05-2
2,2′-sulfinylbis(methylbenzene)

: 1207-12-1
4,6-dimethyldibenzothiophene

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

4,6-Dimethyldibenzothiophene Chemical Properties

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

Molecular Formula: C₁₄H₁₂S
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

4,6-Dimethyldibenzothiophene Safety Profile

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

4,6-Dimethyldibenzothiophene Specification

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

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