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CAS No.: | 7022-45-9 |
---|---|
Name: | 2-(METHYLTHIO) BENZALDEHYDE |
Article Data: | 48 |
Molecular Structure: | |
Formula: | C8H8OS |
Molecular Weight: | 152.217 |
Synonyms: | Benzaldehyde,o-(methylthio)- (7CI,8CI);2-(Methylthio)benzaldehyde;2-Formylthioanisole;2-Methylsulfanylbenzaldehyde;NSC 144623;o-(Methylthio)benzaldehyde; |
Density: | 1.13 g/cm3 |
Boiling Point: | 248.6 °C at 760 mmHg |
Flash Point: | 117.4 °C |
Transport Information: | UN 3334 |
PSA: | 42.37000 |
LogP: | 2.22100 |
2-(methylthio)benzyl alcohol
2-(methylsulfanyl)benzaldehyde
Conditions | Yield |
---|---|
With dimethylsulfide; N-succinimide; triethylamine In toluene | 94% |
With pyridinium chlorochromate In dichloromethane at 20℃; for 1h; | 69% |
With pyridinium chlorochromate In dichloromethane at 0 - 20℃; for 12h; | 65% |
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane; copper(l) iodide at 130℃; for 12h; Sealed tube; Inert atmosphere; | 93% |
Conditions | Yield |
---|---|
In N,N,N,N,N,N-hexamethylphosphoric triamide for 5h; Heating; | 86% |
In N,N-dimethyl-formamide at 20℃; for 44h; | 44% |
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane; N,N-dimethyl-formamide at 55℃; for 24h; Inert atmosphere; | 85% |
In N,N-dimethyl-formamide at 0.15℃; Inert atmosphere; | 85% |
In acetonitrile Heating; |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 55℃; for 24h; | 85% |
Stage #1: methylthiol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 1.5h; Inert atmosphere; Stage #2: 2-Fluorobenzaldehyde In N,N-dimethyl-formamide; mineral oil at -40℃; for 2h; Inert atmosphere; |
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane; N,N-dimethyl-formamide | 85% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 55 - 80℃; for 24h; Inert atmosphere; | 85% |
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In water at 189℃; for 24h; | 64% |
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In water at 189℃; for 15h; | 56% |
2-(Methylthio)thiobenzoesaeure-S-mesitylester
A
2.2'-Bis(methylthio)benzil
B
2-(methylsulfanyl)benzaldehyde
C
bis(2,4,6-trimethylphenyl)disulfide
Conditions | Yield |
---|---|
In benzene at 20℃; for 70h; Irradiation; | A 22% B 11% C 41% |
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The CAS register number of 2-(methylthio) Benzaldehyde is 7022-45-9. It also can be called as Benzaldehyde,2-(methylthio)- and the IUPAC name about this chemical is 2-methylsulfanylbenzaldehyde. The molecular formula about this chemical is C8H8OS and the molecular weight is 152.21. It belongs to the following product categories which include Aldehydes; C8; Carbonyl Compounds and so on.
Physical properties about 2-(methylthio) Benzaldehyde are: (1)ACD/LogP: 2.33; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 42.37Å2; (5)Index of Refraction: 1.577; (6)Molar Refractivity: 44.36 cm3; (7)Molar Volume: 133.7 cm3; (8)Polarizability: 17.58x10-24cm3; (9)Surface Tension: 43.3 dyne/cm; (10)Flash Point: 117.4 °C; (11)Enthalpy of Vaporization: 48.58 kJ/mol; (12)Boiling Point: 248.6 °C at 760 mmHg; (13)Vapour Pressure: 0.0241 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-Methylthio-benzylalkohol. This reaction will need reagent N-succinimide, dimethyl sulfide, triethylamine and solvent toluene. The yield is about 94%.
Uses of 2-(methylthio) Benzaldehyde: it can be used to produce 2.2'-Bis(methylthio)benzoin at heating. This reaction will need reagent KCN and solvent ethanol, H2O with reaction time of 2 hours. The yield is about 42%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccccc1SC
(2)InChI: InChI=1/C8H8OS/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
(3)InChIKey: XIOBUABQJIVPCQ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H8OS/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
(5)Std. InChIKey: XIOBUABQJIVPCQ-UHFFFAOYSA-N