Conditions | Yield |
---|---|
With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide In water; dimethyl sulfoxide at 90℃; for 20h; Inert atmosphere; | 96% |
Stage #1: ortho-methylphenyl iodide With copper(l) iodide; potassium carbonate; sulfur In N,N-dimethyl-formamide at 90℃; for 12h; Inert atmosphere; Stage #2: With sodium tetrahydroborate In N,N-dimethyl-formamide at 40℃; Inert atmosphere; Cooling with ice; | 90% |
With sodiumsulfide nonahydrate; copper; ethane-1,2-dithiol In dimethyl sulfoxide at 100℃; for 20h; Inert atmosphere; Green chemistry; | 88% |
With copper(l) iodide; thiourea; L-proline; sodium t-butanolate In dimethyl sulfoxide at 90℃; for 24h; Inert atmosphere; | 86% |
Conditions | Yield |
---|---|
With hydrogen sulfide at 360℃; Reagent/catalyst; | 98.5% |
Stage #1: 2-methylphenyl bromide With water; caesium carbonate; sodium thiosulfate; bis(dibenzylideneacetone)-palladium(0); XPhos In toluene; tert-butyl alcohol at 80℃; for 24h; Inert atmosphere; Stage #2: With hydrogenchloride; zinc In water for 1h; Cooling with ice; | 75% |
With sulfur; magnesium 1.) ether; Multistep reaction; |
Conditions | Yield |
---|---|
With hydrogenchloride; aluminium chloride In diethyl ether; toluene; Petroleum ether |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; lithium chloride In tetrahydrofuran at 0 - 35℃; | 96% |
With sodium tetrahydroborate; zirconium(IV) chloride In tetrahydrofuran at 35℃; for 0.166667h; Reduction; | 95% |
Conditions | Yield |
---|---|
With iron(III) chloride In Petroleum ether |
methyl o-tolyl sulfide
2-thiocresol
Conditions | Yield |
---|---|
With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; diethylamine In xylene for 6h; Heating; | 85% |
Conditions | Yield |
---|---|
Stage #1: toluene With trifluoromethylsulfonic anhydride; (MeO2CH2CH2)2SO In dichloromethane at -35 - 20℃; Stage #2: With triethylamine In tetrahydrofuran at 20℃; for 12h; Stage #3: With potassium tert-butylate In tetrahydrofuran at -78℃; for 0.166667h; Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
With potassium hydroxide In tetrahydrofuran; methanol for 3h; Ambient temperature; |
O‐(o‐tolyl) dimethylcarbamothioate
2-thiocresol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 2 h / 210 °C 2: KOH / tetrahydrofuran; methanol / 3 h / Ambient temperature View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 1,4-diazabicyclo<2.2.2>octane (dabco) / dimethylformamide / 1.5 h / 60 - 70 °C 2: 2 h / 210 °C 3: KOH / tetrahydrofuran; methanol / 3 h / Ambient temperature View Scheme |
Conditions | Yield |
---|---|
With sodium hydroxide; n-butanethiol 1) N-methyl-2-pyrrolidone, removal of water by toluene reflux, 2) reflux (ca. 186 deg C), 20 h; Yield given. Multistep reaction; | |
With pumice stone; hydrogen sulfide at 700℃; | |
With pumice stone; hydrogen sulfide; thorium dioxide at 700℃; |
Conditions | Yield |
---|---|
With potassium hydroxide at 300 - 310℃; im Autoklaven; |
Conditions | Yield |
---|---|
With sodium hydroxide; bis(triethylphosphine)nickel(II) chloride; sodium cyanoborohydride 1.) DMF, 60 deg C, 10 h, 2.) water, room temperature; Yield given. Multistep reaction; |
2,2,4,4-tetrachloro-2,4-dihydro-1,3-benzodithiin
2-thiocresol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 7h; Heating; Title compound not separated from byproducts; |
dithiocarbonic acid O-ethyl ester-S-o-tolyl ester
2-thiocresol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; diethyl ether |
(3S,3aR,4S,6aR,9S,9aR,9bR)-4-Hydroxy-9-methyl-6-methylene-3-o-tolylsulfanylmethyl-octahydro-azuleno[4,5-b]furan-2,8-dione
A
grosheimin
B
2-thiocresol
Conditions | Yield |
---|---|
With phosphate buffer In methanol at 37℃; pH=7.4; Kinetics; Hydrolysis; |
Conditions | Yield |
---|---|
With sulfuric acid elektrochemische Reduktion; | |
With hydrogenchloride; iron |
[(2-Methylphenyl)sulfanyl]acetic acid
2-thiocresol
Conditions | Yield |
---|---|
With perchloric acid; pyridinium chlorochromate In water; acetic acid at 24.85 - 44.85℃; Kinetics; Oxidation; |
Conditions | Yield |
---|---|
With diethyl ether; sulfur Zersetzung des Reaktionsproduktes mit angesaeuertem Wasser; |
Conditions | Yield |
---|---|
With sodium sulfide | |
With sodium sulfide |
4-bromo-toluene-2-sulfonic acid
2-thiocresol
Conditions | Yield |
---|---|
With hydrogenchloride; tin Behandeln des Reaktionsprodukts in Alkohol mit Natriumamalgam; |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium nitrite Eintragen des Reaktionsgemisches in wss. Natriumpolysulfid und Erhitzen des danach erhaltenen Reaktionsprodukts mit wss. NaOH; |
2-thiocresol
Conditions | Yield |
---|---|
With triethylamine In various solvent(s) Kinetics; Reduction; |
Conditions | Yield |
---|---|
Erwaermen auf ca. 70grad und Verseifung mit alkoh. Kalilauge; |
Conditions | Yield |
---|---|
With perchloric acid; sodium perborate; acetic acid at 24.9℃; Rate constant; Thermodynamic data; Mechanism; var. temp., ΔH(excit.), ΔS(excit.); |
1-chloro-2-(chloromethyl)benzene
A
2-methylchlorobenzene
B
(E)-2,2'-dichlorostilbene
C
1,2-bis(2-chlorophenyl)ethane
D
1,1-di(2-chlorophenyl)ethylene
E
2-thiocresol
Conditions | Yield |
---|---|
With hydrogen sulfide at 560℃; Product distribution; thermolysis in stream of hydrogen sulfide; |
2-ethoxy-S-allylthiophenol
A
styrene
B
1-benzofurane
C
acetophenone
D
2-thiocresol
E
phenol
Conditions | Yield |
---|---|
at 750℃; under 0.001 - 0.005 Torr; for 0.333333h; Mechanism; pyrolysis of o-substituted N-, O-, and S-allyl compounds; |
Conditions | Yield |
---|---|
at 20℃; Rate constant; pH=11; |
Conditions | Yield |
---|---|
at 300 - 310℃; im Autoklaven; |
Conditions | Yield |
---|---|
1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione In chloroform at 20℃; for 0.0166667h; | 100% |
With aluminum oxide; sodium iodate In hexane at 20℃; for 0.5h; | 99% |
With N,N,N,N,-tetramethylethylenediamine; eosin y In ethanol for 2h; Irradiation; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 25℃; for 17h; | 100% |
With sodium hydride In N,N-dimethyl-formamide 1.) 0 deg C, 15 min, 2.) room temperature, 45 min; | 97% |
With potassium carbonate In acetone at 20℃; for 18h; | 95% |
Conditions | Yield |
---|---|
Stage #1: 4-iodobenzoic acid With SPPSLRAM SynPhase Lanterns(R); N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane; N,N-dimethyl-formamide at 45℃; for 15h; Stage #2: 2-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h; Stage #3: With trifluoroacetic acid In dichloromethane | 100% |
Conditions | Yield |
---|---|
Stage #1: 4-iodobenzoic acid With dmap; SPPSLHMP SynPhase Lanterns(R); dacarbazine In dichloromethane; N,N-dimethyl-formamide at 50℃; for 15h; Stage #2: 2-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h; Stage #3: With trifluoroacetic acid In dichloromethane | 100% |
Conditions | Yield |
---|---|
Stage #1: 3-iodo-4-toluic acid With dmap; SPPSLHMP SynPhase Lanterns(R); dacarbazine In dichloromethane; N,N-dimethyl-formamide at 50℃; for 15h; Stage #2: 2-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h; Stage #3: With trifluoroacetic acid In dichloromethane | 100% |
4-iodo-3-methylbenzoic acid
2-thiocresol
Conditions | Yield |
---|---|
Stage #1: 4-iodo-3-methylbenzoic acid With dmap; SPPSLHMP SynPhase Lanterns(R); dacarbazine In dichloromethane; N,N-dimethyl-formamide at 50℃; for 15h; Stage #2: 2-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h; Stage #3: With trifluoroacetic acid In dichloromethane | 100% |
Conditions | Yield |
---|---|
With potassium hydroxide; copper In water for 7h; Heating; | 99% |
Conditions | Yield |
---|---|
With N-Bromosuccinimide In dichloromethane at 0℃; for 1h; | 99% |
With oxygen; potassium carbonate at 60℃; for 24h; Schlenk technique; chemoselective reaction; | 75% |
With eosin at 20℃; for 1h; Irradiation; | 75% |
(i) Pb(OAc)4, (ii) /BRN= 1098229/, Pb(OAc)4; Multistep reaction; |
2-thiocresol
5-Isopropyl-6-methanesulfonyl-1-propoxy-1H-pyrimidine-2,4-dione
Conditions | Yield |
---|---|
With sodium hydroxide for 0.333333h; Ambient temperature; | 99% |
2-thiocresol
6-methyl-2-oxo-2H-chromen-4-yl 4-methylbenzenesulfonate
C17H14O2S
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20 - 25℃; | 99% |
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; zinc(II) chloride In dichloromethane at 20℃; for 1h; | 99% |
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 7h; Michael addition; optical yield given as %ee; enantioselective reaction; | 99% |
Conditions | Yield |
---|---|
With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium(0); N-ethyl-N,N-diisopropylamine In toluene for 3h; Inert atmosphere; Reflux; | 99% |
With 1-(pyridin-2-yl)-1H-benzo[d][1,2,3]triazole; potassium tert-butylate; palladium diacetate In dimethyl sulfoxide at 100℃; for 12h; Inert atmosphere; Schlenk technique; | 87% |
With copper(l) iodide; 1-Hydroxymethyl-1H-benzotriazole; potassium tert-butylate In dimethyl sulfoxide at 100℃; | 78% |
Conditions | Yield |
---|---|
Stage #1: 2-Bromo-m-xylene With dichloro[1,3-bis(2,6-di-3-pentylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II); lithium isopropoxide In toluene at 80℃; for 0.5h; Inert atmosphere; Stage #2: 2-thiocresol With potassium tert-butylate In toluene at 40℃; for 24h; Inert atmosphere; | 99% |
2-thiocresol
rac-2-(2-bromophenyl)-1-tosylaziridine
3-(o-tolylthio)-1-tosylindoline
Conditions | Yield |
---|---|
Stage #1: 2-thiocresol; 2-(2-bromophenyl)-N-tosylaziridine With potassium carbonate In toluene at 20℃; for 0.416667h; Inert atmosphere; Stage #2: With palladium diacetate; potassium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 110 - 115℃; for 3h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate In water; acetonitrile at 70℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube; | 99% |
With ammonium peroxydisulfate; copper(II) oxide In water; dimethyl sulfoxide at 80℃; for 12h; | 73% |
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate In water; acetonitrile at 70℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube; | 99% |
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate In water; acetonitrile at 70℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube; | 99% |
Conditions | Yield |
---|---|
With manganese(II)carbonate; C26H36N2O6; oxygen; potassium carbonate at 60℃; under 750.075 Torr; for 19h; | 99% |
With copper(II) nitrate trihydrate; 4,7-bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-1,10-phenanthroline; oxygen; caesium carbonate In water at 100℃; under 760.051 Torr; for 36h; Schlenk technique; Green chemistry; chemoselective reaction; | 95% |
p-Methoxybenzoic anhydride
2-thiocresol
1-[(4-methoxyphenyl)thio]-2-methylbenzene
Conditions | Yield |
---|---|
With manganese; 1,3-bis-(diphenylphosphino)propane; sodium carbonate; nickel dichloride In toluene at 150℃; for 24h; Sealed tube; Inert atmosphere; | 99% |
IUPAC Name: 2-Methylbenzenethiol
Molecular formula: C7H8S
Molecular Weight: 124.2
Density: 1.049 g/cm3
Melting point: 0-12 °C(lit.)
Boiling point: 195 °C at 760 mmHg
Flash point: 63.9 °C
Solubility in water: insoluble
Sensitive: Stench
Index of Refraction: 1.577
Molar Refractivity: 39.25 cm3
Molar Volume: 118.3 cm3
Surface Tension: 37.8 dyne/cm
Enthalpy of Vaporization: 41.36 kJ/mol
Vapour Pressure: 0.601 mmHg at 25 °C
Appearance: clear colourless to slighty yellow-brown liguid
EINECS: 205-276-8
Product Categories of o-Toluenethiol (CAS NO.137-06-4): Phenol & Thiophenol & Mercaptan; thiol Flavor
o-Toluenethiol (CAS NO.137-06-4) is used as a raw material in organic synthesis.
It is derived by the o-toluidine by diazotization, esterification, hydrolysis.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD277-689, |
Reported in EPA TSCA Inventory.
Poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic fumes of SOx.
Hazard Codes: Xi,Xn
Risk Statements:
R37/38: Irritating to respiratory system and skin .
R41: Risk of serious damage to eyes.
R36/37/38: Irritating to eyes, respiratory system and skin .
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39: Wear eye/face protection .
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection .
RIDADR: 2810
WGK Germany: 3
RTECS: XT8750000
Hazard Note: Harmful/Irritant/Stench
HazardClass: 6.1
PackingGroup of o-Toluenethiol (CAS NO.137-06-4): III
DOT Classification: 3; Label: Flammable Liquid, Poison (UN 1228); DOT Class: 6.1; Label: Poison, Flammable Liquid (UN 3071)
o-Toluenethiol (CAS NO.137-06-4), its Synonyms are 2-Methylbenzenethiol ; 2-Methylphenylthiol ; 2-Methylthiophenol ; 2-Toluenethiol ; Benzenethiol, 2-methyl- ; o-Mercaptotoluene ; o-Methylbenzenethiol ; o-Methylthiophenol ; o-Thiocresol ; Toluene, 2-mercapto- ; Tolylmercaptan, o- ; Tolylthiol, o- .
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