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CAS No.: | 29199-11-9 |
---|---|
Name: | 2-Mercaptobenzaldehyde |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C7H6 O S |
Molecular Weight: | 138.19 |
Synonyms: | Benzaldehyde,o-mercapto- (7CI,8CI);2-Formylthiophenol;2-Mercaptobenzaldehyde;2-Sulfanylbenzaldehyde;2-Thiosalicylaldehyde;Thiosalicylaldehyde; |
Density: | 1 +-.0.06 g/cm3(Predicted) |
Boiling Point: | 248.5±23.0 °C(Predicted) |
PSA: | 55.87000 |
LogP: | 1.78780 |
2,2'-dithiodibenzaldehyde
2-formylthiophenol
Conditions | Yield |
---|---|
With tris-(2-carboxyethyl)-phosphine hydrochloride In dimethyl sulfoxide | 100% |
With triphenylphosphine In methanol; water; N,N-dimethyl-formamide 1.) room temp., 30 min; 2.) ice-water bath, 30 min; | 80% |
With water; triphenylphosphine In methanol; N,N-dimethyl-formamide at 20℃; for 0.5h; | 80% |
o-hydroxymethyl thiophenol
2-formylthiophenol
Conditions | Yield |
---|---|
With dihydrogen peroxide In neat (no solvent) at 80℃; for 4h; Green chemistry; | 100% |
Multi-step reaction with 2 steps 1: 54 percent / pyridinium chlorochromate / CH2Cl2 / 4 h / 20 °C 2: 80 percent / triphenylphosphine; water / methanol; dimethylformamide / 0.5 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: 54 percent / PCC / CH2Cl2 / 4 h / Ambient temperature 2: 80 percent / Ph3P / dimethylformamide; H2O; methanol / 1.) room temp., 30 min; 2.) ice-water bath, 30 min View Scheme |
2-(2-bromophenyl)-1,3-dioxolan
2-formylthiophenol
Conditions | Yield |
---|---|
Stage #1: 2-(2-bromophenyl)-1,3-dioxolan With magnesium In tetrahydrofuran at 0℃; for 1h; Reflux; Stage #2: With sulfur In tetrahydrofuran at 20℃; Stage #3: With hydrogenchloride; water In tetrahydrofuran; water for 2h; Reflux; | 91% |
Conditions | Yield |
---|---|
Stage #1: thiophenol With n-butyllithium; N,N,N,N,-tetramethylethylenediamine Stage #2: N,N-dimethyl-formamide | 83% |
Stage #1: thiophenol With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In hexane Stage #2: N,N-dimethyl-formamide In hexane | 66% |
Stage #1: thiophenol With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In hexane at 0 - 20℃; for 16h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In hexane at 0 - 20℃; for 20h; Inert atmosphere; | 48% |
o-Thioacetoxybenzaldehyde
2-formylthiophenol
Conditions | Yield |
---|---|
With titanium tetrachloride; zinc In dichloromethane at 25℃; for 0.166667h; | 82% |
o-rhodano-benzaldehyde
2-formylthiophenol
Conditions | Yield |
---|---|
With sodium hydroxide for 0.0833333h; | 70% |
With sodium sulfide; water das Natriumsalz entsteht; |
2-hydroxy-5-phenylcyclohex-1-enecarbaldehyde
A
mer-hydrido(1-carbonyl-2-oxo-5-phenylyclohexenediyl)tris(trimethylphosphine)cobalt(III)
B
2-formylthiophenol
Conditions | Yield |
---|---|
In diethyl ether at -80 - 20℃; for 14h; Mechanism; Inert atmosphere; Schlenk technique; | A 69% B n/a |
ethyl 2-sulfanylacetate
ortho-bromobenzaldehyde
A
ethyl benzo[b]thiophene-2-carboxylate
B
2-formylthiophenol
Conditions | Yield |
---|---|
With potassium tert-butylate In ammonia for 180h; Irradiation; | A 55% B 10% |
With potassium tert-butylate 1.) NH3, irradiation, 180 min,; Yield given. Multistep reaction. Yields of byproduct given; |
Conditions | Yield |
---|---|
With triphenylphosphine In chloroform at 20℃; for 96h; | A 9% B 52% C 33.5% |
2-[(phenylmethyl)thio]benzaldehyde
2-formylthiophenol
Conditions | Yield |
---|---|
Stage #1: 2-[(phenylmethyl)thio]benzaldehyde With aluminum (III) chloride In benzene at 20℃; for 48.5h; Inert atmosphere; Stage #2: With water In benzene Cooling with ice; | 24% |
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2-Mercaptobenzaldehyde, with the CAS NO.29199-11-9, also called 2-Formylthiophenol; 2-Mercaptobenzaldehyde; 2-MERCPATOBENZLADEHYDE; Benzaldehyde, 2-Mercapto-.
Physical properties about 2-Mercaptobenzaldehyde are: (1)ACD/LogP: 1.602; (2)ACD/LogD (pH 5.5): 1.46; (3)ACD/LogD (pH 7.4): 0.10; (4)ACD/BCF (pH 5.5): 6.96 ; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 126.86; (7)ACD/KOC (pH 7.4): 5.56; (8)#H bond acceptors:1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.644; (11)Molar Refractivity: 41.181 cm3; (12)Molar Volume: 113.71 cm3; (13)Polarizability: 16.325 10-24cm3; (14)Surface Tension: 48.9900016784668 dyne/cm; (15)Density: 1.215 g/cm3; (16)Flash Point: 104.098 °C; (17)Enthalpy of Vaporization: 48.571 kJ/mol; (18)Boiling Point: 248.515 °C at 760 mmHg; (19)Vapour Pressure: 0.0240000002086163 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES:O=Cc1ccccc1S;
(2)Std. InChI:InChI=1S/C7H6OS/c8-5-6-3-1-2-4-7(6)9/h1-5,9H;
(3)Std. InChIKey:KSDMMCFWQWBVBW-UHFFFAOYSA-N