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Cas Database

Name	Phenyl vinyl sulfone	EINECS	226-890-2
CAS No.	5535-48-8	Density	1.177 g/cm³
PSA	42.52000	LogP	2.68460
Solubility	N/A	Melting Point	67-69 °C(lit.)
Formula	C₈H₈O₂S	Boiling Point	314.4 °C at 760 mmHg
Molecular Weight	168.216	Flash Point	178.6 °C
Transport Information	N/A	Appearance	off-white or tan powder
Safety	26-36/37/39-37/39	Risk Codes	36/37/38-43
Molecular Structure		Hazard Symbols	Xi
Synonyms	(Vinylsulfonyl)benzene;Sulfone, phenyl vinyl;URI 744;PHENYL VINYL SULPHONE;PHENYLVINYLSULTONE;PHENYL VINYL SULFONE;VINYL PHENYL SULFONE;Eletriptan intermediate 1	Article Data	97

Phenyl vinyl sulfone Synthetic route

: 938-09-0
2-chloroethyl phenyl sulfone

: 5535-48-8
PVS

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20 - 24℃; for 20h;	100%
With benzylamine In acetonitrile at 25℃; for 0.525h; Rate constant; different amines, amine concentrations and reaction times;
With sodium hydroxide

: 1822-73-7
phenylthioethylene

: 5535-48-8
PVS

Conditions

Conditions	Yield
With C4H9N2O9W In methanol; water at 20℃; for 4h; chemoselective reaction;	99%
With selenium(IV) oxide; dihydrogen peroxide In water; ethyl acetate chemoselective reaction;	99%
With dihydrogen peroxide In water at 80℃; for 7.33333h; Catalytic behavior; Reagent/catalyst; Green chemistry;	98%

: 20451-53-0
Phenyl vinyl sulfoxide

: 5535-48-8
PVS

Conditions

Conditions	Yield
With dihydrogen peroxide; [(η5-C5Me5)Mo(CO)3Cl] In acetonitrile at -20 - 20℃; for 4h;	98%
With dihydrogen peroxide In water; acetic acid at 20℃; for 12h;	97%
With n-C4F9; perfluoro-cis-2,3-dialkyloxaziridine; n-C3F7 In chloroform; trichlorofluoromethane at -20℃; for 0.25h;	90%
With dihydrogen peroxide In acetic acid Ambient temperature; Yield given;

: 20611-21-6
2-(phenylsulfonyl)ethanol

: 5535-48-8
PVS

Conditions

Conditions	Yield
With methanesulfonyl chloride; triethylamine In dichloromethane at 20℃; for 6h; Dehydration;	95%
Multi-step reaction with 2 steps 1: 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; DMAP / CH2Cl2 / 12 h / 20 °C 2: aq. NaHCO3 / acetone / 12 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; DMAP / CH2Cl2 / 12 h / 20 °C 2: aq. NaHCO3 / acetone / 12 h / 20 °C View Scheme
With sulfuric acid Behandeln des Reaktionsgemisches mit Wasser und mit wss. Natronlauge;

: 65211-25-8
(1,2-dibromo-ethyl)-phenyl sulfone

: 5535-48-8
PVS

Conditions

Conditions	Yield
With triphenylphosphine In methanol at 25℃;	92%
With triphenylphosphine In methanol at 25℃; Rate constant;	92%

: 963-15-5
(Z)-1,2-bis(phenylsulfonyl)ethene

: 5535-48-8
PVS

Conditions

Conditions	Yield
With tri-n-butyl-tin hydride In dichloromethane for 0.0833333h; Ambient temperature;	90%
With PtCl2Styr2; diphenylsilane In chloroform for 4h; Heating;	15%

: 50-00-0
formaldehyd

: 17872-92-3
(phenylsulfonylmethyl)trimethylsilane

: 5535-48-8
PVS

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran	87%
With n-butyllithium 1.) hexane, THF, 0 deg C, 0.5 h, 2.) hexane, THF, room temperature; Yield given. Multistep reaction;

: 31469-08-6
ethane-1,2-disulfonyl chloride

: 100-58-3
phenylmagnesium bromide

: 5535-48-8
PVS

Conditions

Conditions	Yield
In tetrahydrofuran for 0.25h; Cooling with ice; stereospecific reaction;	85%

: (1-Bromo-2-methoxy-ethanesulfonyl)-benzene

A: 5535-48-8
PVS

B: 25062-93-5
phenyl 2-methoxyethyl sulfone

Conditions

Conditions	Yield
With methanol; triphenylphosphine at 25℃;	A n/a B 82%
With methanol; triphenylphosphine at 25℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);	A n/a B 82%

: C14H13BrO4S2

A: 599-94-0
1,2-bis(phenylsulfonyl)ethane

B: 5535-48-8
PVS

Conditions

Conditions	Yield
With methanol; triphenylphosphine at 25℃;	A 80% B n/a
With methanol; triphenylphosphine at 25℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);	A 80% B n/a

Phenyl vinyl sulfone Specification

Phenyl vinyl sulfone(CAS NO.5535-48-8) is also named as (Vinylsulfonyl)benzene; (Vinylsulfonyl)benzol; Benzene, (ethenylsulfonyl)-; Ethenyl phenyl sulfone; Phenyl-vinylsulfon; Sulfone, phenyl vinyl; (Ethenylsulfonyl)benzene. Phenyl vinyl sulfone is off-white or tan powder. It has the Molecular Formula of C₈H₈O₂S and Molecular Weight of 168.21292. It belongs to the Product Categories of Pharmaceutical material and intermeidates; Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry; Naphthyridine,Quinoline; Organic Building Blocks; Sulfones.

Physical properties about Phenyl vinyl sulfone are: (1)ACD/LogP: 1.126; (2)ACD/LogD (pH 5.5): 1.13; (3)ACD/LogD (pH 7.4): 1.13; (4)ACD/BCF (pH 5.5):4.22; (5)ACD/BCF (pH 7.4): 4.22; (6)ACD/KOC (pH 5.5): 97.58; (7)ACD/KOC (pH 7.4): 97.58; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.537 ; (11)Molar Refractivity: 44.597 cm³; (12)Molar Volume: 142.811 cm³ ; (13)Polarizability: 17.68 10-24cm³; (14)Surface Tension: 37.1389999389648 dyne/cm; (15)Density: 1.178 g/cm³; (16)Flash Point: 178.621 °C; (17)Enthalpy of Vaporization: 53.339 kJ/mol; (18)Boiling Point: 314.371 °C at 760 mmHg; (19)Vapour Pressure: 0.00100000004749745 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. Wear suitable protective clothing and gloves;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2;
(2)InChIKey=UJTPZISIAWDGFF-UHFFFAOYSA-N;
(3)SmilesS(C=C)(=O)(=O)c1ccccc1

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