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2-(Methylthio)benzaldehyde
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Name

2-(Methylthio)benzaldehyde

 EINECS N/A
CAS No. 7022-45-9 Density 1.13 g/cm3
PSA 42.37000 LogP 2.22100
Solubility N/A Melting Point N/A
Formula C8H8OS Boiling Point 248.6 °C at 760 mmHg
Molecular Weight 152.217 Flash Point 117.4 °C
Transport Information UN 3334 Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7022-45-9 (2-(METHYLTHIO) BENZALDEHYDE) Hazard Symbols N/A
Synonyms

Benzaldehyde,o-(methylthio)- (7CI,8CI);2-(Methylthio)benzaldehyde;2-Formylthioanisole;2-Methylsulfanylbenzaldehyde;NSC 144623;o-(Methylthio)benzaldehyde;

Article Data 48

2-(Methylthio)benzaldehyde Synthetic route

33384-77-9

2-(methylthio)benzyl alcohol

7022-45-9

2-(methylsulfanyl)benzaldehyde

Conditions
ConditionsYield
With dimethylsulfide; N-succinimide; triethylamine In toluene94%
With pyridinium chlorochromate In dichloromethane at 20℃; for 1h;69%
With pyridinium chlorochromate In dichloromethane at 0 - 20℃; for 12h;65%
67-68-5

dimethyl sulfoxide

6630-33-7

ortho-bromobenzaldehyde

7022-45-9

2-(methylsulfanyl)benzaldehyde

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; copper(l) iodide at 130℃; for 12h; Sealed tube; Inert atmosphere;93%
89-98-5

2-chloro-benzaldehyde

5188-07-8

sodium thiomethoxide

7022-45-9

2-(methylsulfanyl)benzaldehyde

Conditions
ConditionsYield
In N,N,N,N,N,N-hexamethylphosphoric triamide for 5h; Heating;86%
In N,N-dimethyl-formamide at 20℃; for 44h;44%
446-52-6

2-Fluorobenzaldehyde

5188-07-8

sodium thiomethoxide

7022-45-9

2-(methylsulfanyl)benzaldehyde

Conditions
ConditionsYield
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;
74-93-1

methylthiol

446-52-6

2-Fluorobenzaldehyde

7022-45-9

2-(methylsulfanyl)benzaldehyde

Conditions
ConditionsYield
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;
methyl sodium sulfide

methyl sodium sulfide

446-52-6

2-Fluorobenzaldehyde

7022-45-9

2-(methylsulfanyl)benzaldehyde

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; N,N-dimethyl-formamide85%
74-93-1

methylthiol

2-halobenzaldehyde

2-halobenzaldehyde

7022-45-9

2-(methylsulfanyl)benzaldehyde

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 55 - 80℃; for 24h; Inert atmosphere;85%
67-68-5

dimethyl sulfoxide

446-52-6

2-Fluorobenzaldehyde

7022-45-9

2-(methylsulfanyl)benzaldehyde

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In water at 189℃; for 24h;64%
67-68-5

dimethyl sulfoxide

552-89-6

2-nitro-benzaldehyde

7022-45-9

2-(methylsulfanyl)benzaldehyde

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In water at 189℃; for 15h;56%
77418-23-6

2-(Methylthio)thiobenzoesaeure-S-mesitylester

A

53271-52-6

2.2'-Bis(methylthio)benzil

B

7022-45-9

2-(methylsulfanyl)benzaldehyde

C

1483-92-7

bis(2,4,6-trimethylphenyl)disulfide

Conditions
ConditionsYield
In benzene at 20℃; for 70h; Irradiation;A 22%
B 11%
C 41%

2-(Methylthio)benzaldehyde Specification

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

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