2,6-Dimethylthiophenol supplier

Name
2,6-DIMETHYLTHIOPHENOL
EINECS 204-272-3
CAS No. 118-72-9
Article Data17
CAS DataBase
Density 1.027 g/cm³
Solubility
Melting Point -30°C (estimate)
Formula C₈H₁₀S
Boiling Point 218.2 °C at 760 mmHg
Molecular Weight 138.233
Flash Point 85.6 °C
Transport Information
Appearance clear colorless to light yellow liquid
Safety 26-36/37/39-36-7/9
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,6-Xylenethiol(6CI,7CI,8CI);2,6-Dimethylbenzenethiol;2,6-Dimethylphenylthiol;2,6-Xylyl mercaptan;
PSA 38.80000
LogP 2.59210

Synthetic route

: benzyl (2,6-dimethylphenyl) sulfide

: 118-72-9
2,6-dimethylbenzene-1-thiol

Conditions

Conditions	Yield
With bis(cyclopentadienyl)titanium dichloride; dibutylmagnesium In n-heptane; diethylene glycol dimethyl ether at 0℃; for 1h;	96%

: 2905-17-1
bis(2,6-dimethylphenyl)disulfide

: 118-72-9
2,6-dimethylbenzene-1-thiol

Conditions

Conditions	Yield
With indium; ammonium chloride In ethanol for 1h; Reduction; Heating;	94%
With magnesium In methanol for 0.583333h; Ambient temperature;	90%
With sodium tetrahydroborate; zirconium(IV) chloride In tetrahydrofuran at 35℃; for 0.333333h; Reduction;	80%

: 608-28-6
2,6-dimethyliodobenzene

: 118-72-9
2,6-dimethylbenzene-1-thiol

Conditions

Conditions	Yield
With copper(l) iodide; thiourea; L-proline; sodium t-butanolate In dimethyl sulfoxide at 90℃; for 24h; Inert atmosphere;	83%
Multi-step reaction with 2 steps 1: copper(l) iodide; tetra(n-butyl)ammonium hydroxide; sulfur / water / 24 h / 40 °C / Inert atmosphere; Sealed tube 2: hydrogenchloride; zinc / water / Inert atmosphere; Cooling with ice View Scheme

: 140-89-6
potassium ethyl xanthogenate

: 85518-80-5
2,6-Dimethylphenyl diazonium chloride

: 118-72-9
2,6-dimethylbenzene-1-thiol

Conditions

Conditions	Yield
With water Erwaermen des Reaktionsprodukts mit aethanol. KOH;
With water Erwaermen des Reaktionsprodukts mit LiAlH4 in Aether;

: 87-62-7
2,6-dimethylaniline

: 118-72-9
2,6-dimethylbenzene-1-thiol

Conditions

Conditions	Yield
(i) aq. NaNO2, aq. HCl, (ii) potassium ethylxanthate, (iii) KOEt, EtOH; Multistep reaction;
(i) NaNO2, aq. HCl, (ii) aq. EtOCS2K; Multistep reaction;
Multi-step reaction with 3 steps 1: (i) NaNO2, aq. H2SO4, (ii) /BRN= 3596974/, H2O 2: (i) aq. NaOH, EtOH, (ii) Br2 3: LiAlH4 / diethyl ether View Scheme

: 109404-65-1
Bis-<2,6-dimethyl-phenyl>-dithiolcarbonat

: 118-72-9
2,6-dimethylbenzene-1-thiol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) aq. NaOH, EtOH, (ii) Br2 2: LiAlH4 / diethyl ether View Scheme

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 464885-23-2
N,N’-di(2,6-diisopropylphenyl)-1,6,9,13-tetrabromoterrylene-3,4:11,12-tetracarboxdiimide

: 919488-85-0
N,N'-bis(2,6-diisopropylphenyl)-1,6,9,14-tetra(2,6-dimethylthiophenoxy)-terrylene-3,4:11,12-tetracarboximide

Conditions

Conditions	Yield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 40℃; for 4h;	100%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: C45H62O7Si2

: C49H62O5SSi2

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -78℃; for 2h;	100%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 80-17-1
benzenesufonyl hydrazide

: S-(2,6-dimethylphenyl) benzenesulfonothioate

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; sodium iodide In acetonitrile at 25℃; for 12h;	100%
With tert.-butylhydroperoxide; sodium iodide In acetonitrile at 20℃; for 12h;	99%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 2905-17-1
bis(2,6-dimethylphenyl)disulfide

Conditions

Conditions	Yield
With oxygen; SiO2-Cl In dichloromethane at 0℃; for 0.166667h;	99%
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione In chloroform at 25℃; for 0.0833333h;	99%
With aluminum oxide In neat (no solvent) for 0.5h; Milling; chemoselective reaction;	95%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 42599-17-7
(E)-1-iodo-1-octene

: (E)-(2,6-dimethylphenyl)(oct-1-enyl)sulfane

Conditions

Conditions	Yield
With potassium phosphate; (1,10-phenanthroline)bis(triphenylphosphine)copper(I) nitrate In toluene at 110℃; for 4h;	99%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 930-68-7
cyclohexenone

: 177336-50-4
(S)-3-(2,6-dimethylphenylthio)-cyclohexanone

Conditions

Conditions	Yield
With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methyl)urea In toluene at 20℃; for 10h; Michael addition; optical yield given as %ee; enantioselective reaction;	99%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 563-76-8
α-bromopropionyl bromide

: 1247748-11-3
S-2,6-dimethylphenyl α-bromothiopropionate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 0.5h;	99%
Stage #1: 2,6-dimethylbenzene-1-thiol; α-bromopropionyl bromide With pyridine In dichloromethane at 0℃; Inert atmosphere; Stage #2: With dmap In dichloromethane at 0 - 20℃; Inert atmosphere;	63%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 108-90-7
chlorobenzene

: 54088-93-6
2,6-dimethylphenyl phenyl sulfide

Conditions

Conditions	Yield
With tetrakis(tri-p-tolylphosphite)nickel(0); potassium tert-butylate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; zinc In toluene at 110℃; for 16h; Sealed tube; Inert atmosphere;	99%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 100-66-3
methoxybenzene

: (2,6-dimethylphenyl)(4-methoxyphenyl)sulfane

Conditions

Conditions	Yield
With tert-butylammonium hexafluorophosphate(V) In 1,2-dichloro-ethane for 4.5h; Electrolysis; Inert atmosphere; Sealed tube; regioselective reaction;	99%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 89-98-5
2-chloro-benzaldehyde

: 540774-00-3
2-((2,6-dimethylphenyl)thio)benzaldehyde

Conditions

Conditions	Yield
With sodium carbonate In N,N,N,N,N,N-hexamethylphosphoric triamide at 100℃; for 5h;	98%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 65058-82-4
(S)-(-)-β-methyl-β-propiolactone

: 141079-83-6
(R)-3-(2,6-Dimethyl-phenylsulfanyl)-butyric acid

Conditions

Conditions	Yield
With sodium hydroxide In water; isopropyl alcohol 1.) 0 deg C, 10 min, 2.) rt, 2 h;	97%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 1292810-19-5
cis-di-tert-butyl 1-tosylaziridine-2,3-dicarboxylate

: 1292810-12-8
di-tert-butyl 2-(2,6-dimethylphenylthio)-3-(4-methylphenylsulfonamido)succinate

Conditions

Conditions	Yield
Stage #1: cis-di-tert-butyl 1-tosylaziridine-2,3-dicarboxylate With (1R,2R)-2-(tert-butyldiphenylsilyloxy)-N-(dipyrrolidin-1-ylmethylene)-2,3-dihydro-1H-inden-1-amine In di-isopropyl ether at -50℃; for 0.5h; Inert atmosphere; Stage #2: 2,6-dimethylbenzene-1-thiol In di-isopropyl ether at -50℃; for 48h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	97%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 615-37-2
ortho-methylphenyl iodide

: 38630-01-2
(2,6-dimethylphenyl)(o-tolyl)sulfane

Conditions

Conditions	Yield
With sodium hydroxide; copper(l) iodide; tetrabutylammomium bromide In toluene for 22h; Ullmann coupling; Heating;	96%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: trans-1-bromomethyl-2-iodocyclopropane

: 1-(trans-2-iodocyclopropylmethylsulfanyl)-2,6-dimethylbenzene

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide for 3h;	96%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 637-87-6
1-Chloro-4-iodobenzene

: (4-chlorophenyl)(2,6-dimethylphenyl)sulfide

Conditions

Conditions	Yield
With sodium hydroxide; copper(l) iodide; tetrabutylammomium bromide In toluene for 22h; Ullmann coupling; Heating;	96%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 134273-12-4
(2E)-5-phenyl-2-pentanophenone

: (S)-3-(2,6-dimethylphenylthio)-1,5-diphenylpentan-1-one

Conditions

Conditions	Yield
With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methyl)urea In toluene at 20℃; for 12h; Michael addition; optical yield given as %ee; enantioselective reaction;	96%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 1401236-92-7
C40H39BrO7

: 1401236-98-3
C44H39BrO5S

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -78 - -55℃; for 3.5h;	96%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 80-62-6
methacrylic acid methyl ester

: methyl 3-((2,6-dimethylphenyl)thio)-2-hydroxy-2-methylpropanoate

Conditions

Conditions	Yield
Stage #1: 2,6-dimethylbenzene-1-thiol; methacrylic acid methyl ester In 1,2-dichloro-ethane; acetonitrile at 20℃; for 6h; Stage #2: With triphenylphosphine In 1,2-dichloro-ethane; acetonitrile for 2h;	96%
With oxygen; copper diacetate; benzoic acid In 1,2-dichloro-ethane at 50℃; for 3h;	68%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: trimethanolato(pentamethylcyclopentadienyl)titanium(IV)

: pentamethylcyclopentadienyl-2,6-dimethylphenylthiodimethoxytitanium

Conditions

Conditions	Yield
In toluene at 20℃; Inert atmosphere;	96%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 591-50-4
iodobenzene

: 54088-93-6
2,6-dimethylphenyl phenyl sulfide

Conditions

Conditions	Yield
With copper(l) iodide; 2.9-dimethyl-1,10-phenanthroline; sodium t-butanolate In toluene at 110℃; for 24h;	95%
With tetra(n-butyl)ammonium hydroxide In water at 50℃; for 24h; Inert atmosphere; Sealed tube; chemoselective reaction;	93%
With copper(l) iodide; sodium t-butanolate In acetonitrile at 0℃; for 8h; Sealed tube; Irradiation; Inert atmosphere;	72%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 140-88-5
ethyl acrylate

: 850175-21-2
3-(2,6-dimethylphenylsulfanyl)propionic acid ethyl ester

Conditions

Conditions	Yield
With sodium hydride In dichloromethane; mineral oil at 50℃;	95%
With potassium carbonate In dichloromethane at 20℃; for 18h;	87%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 107-07-3
2-chloro-ethanol

: 2-(2,6-dimethyl phenylthio) 1-hydroxyethane

Conditions

Conditions	Yield
With sodium hydroxide In water	95%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 624-31-7
4-tolyl iodide

: (2,6-dimethylphenyl)(p-tolyl)sulfane

Conditions

Conditions	Yield
With sodium hydroxide; copper(l) iodide; tetrabutylammomium bromide In toluene for 22h; Ullmann coupling; Heating;	95%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 50960-82-2
carbonylgold(I) chloride

: 7440-57-5, 457905-15-6
gold

Conditions

Conditions	Yield
With CO In dichloromethane byproducts: HCl, (SC6H3Me2-2,6)2; 1 atm CO, -65°C;	95%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 69113-59-3
3-iodobenzonitrile

: 1270110-52-5
3-(2,6-dimethylphenylthio)benzonitrile

Conditions

Conditions	Yield
With copper on iron; potassium carbonate In N,N-dimethyl acetamide at 100℃; for 8h;	95%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 65232-57-7
1,3-diethyl-2-bromobenzene

: (2,6-diethylphenyl)(2,6-dimethylphenyl)sulfane

Conditions

Conditions	Yield
With Pd-PEPPSI-(2,6-(3-pentyl)pentylphenyl-2H-imidazol-2-ylidene)Cl-o-picoline; potassium tert-butylate; lithium isopropoxide In toluene at 23℃; for 24h; Glovebox; Inert atmosphere;	95%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 116413-49-1
(3-bromo-4-methoxyphenyl)-phenylmethanone

: 1427470-15-2
C22H20O2S

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium(0); N-ethyl-N,N-diisopropylamine In toluene for 3h; Inert atmosphere; Reflux;	95%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 280-64-8
9-bora-bicyclo[3.3.1]nonane

: C16H23BS

Conditions

Conditions	Yield
With triethylamine In [D3]acetonitrile at 60℃; for 24h; Inert atmosphere;	95%

: 118-72-9
2,6-dimethylbenzene-1-thiol

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

: C14H21BO2S

Conditions

Conditions	Yield
With triethylamine In [D3]acetonitrile at 120℃; for 96h; Inert atmosphere;	95%
With C8H12BN In chloroform-d1 at 80℃; for 24h; Glovebox; Schlenk technique; Inert atmosphere;

2,6-Dimethylthiophenol Chemical Properties

Molecular Structure of Benzenethiol,2,6-dimethyl- (CAS NO.118-72-9):

IUPAC Name: 2,6-dimethylbenzenethiol
Empirical Formula: C₈H₁₀S
Molecular Weight: 138.23
EINECS: 204-272-3
Sensitive:: Moisture Sensitive
BRN 1099405
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 25.3 Å²
Index of Refraction: 1.568
Molar Refractivity: 44.07 cm³
Molar Volume: 134.5 cm³
Surface Tension: 36.6 dyne/cm
Density: 1.027 g/cm³
Flash Point: 85.6 °C
Enthalpy of Vaporization: 43.61 kJ/mol
Boiling Point: 218.2 °C at 760 mmHg
Vapour Pressure: 0.187 mmHg at 25°C
InChI
InChI=1/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
Smiles
c1(c(cccc1C)C)S

2,6-Dimethylthiophenol Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-36-7/9
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S36:Wear suitable protective clothing.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
WGK Germany: 2
TSCA: T
HazardClass: Irritant, Stench

2,6-Dimethylthiophenol Specification

Benzenethiol,2,6-dimethyl- , with CAS number of 118-72-9, can be called 2,6-Dimethyl-4-thiophenol ; 2,6-Dimethylbenzenethiol ; 2,6-Dimethylphenylthiol . It is a clear colorless to light yellow liquid.

Product Name

2,6-DIMETHYLTHIOPHENOL

Synthetic route

2,6-Dimethylthiophenol Chemical Properties

2,6-Dimethylthiophenol Safety Profile

2,6-Dimethylthiophenol Specification

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