4-Vinylbenzoic acid supplier

Name
4-Vinylbenzoic acid
EINECS 214-053-4
CAS No. 1075-49-6
Article Data57
CAS DataBase
Density 1.158 g/cm³
Solubility
Melting Point 142-144 °C(lit.)
Formula C₉H₈O₂
Boiling Point 291.3 °C at 760 mmHg
Molecular Weight 148.161
Flash Point 132.8 °C
Transport Information
Appearance Off-white solid
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, p-vinyl- (7CI,8CI);4-Carboxystyrene;4-Ethenylbenzoic acid;NSC 176003;p-Carboxystyrene;p-Vinylbenzoic acid;Benzoic acid,4-ethenyl-;
PSA 37.30000
LogP 2.02780

Synthetic route

: 619-58-9
4-iodobenzoic acid

: 4109-84-6
trichlorovinylstannane

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide; disodium P-phenyl-3,3'-phosphinediyl-bis(benzenesulfonate); palladium dichloride at 90℃; for 3h;	97%

: 78-08-0
Triethoxyvinylsilane

: 586-76-5
4-Bromobenzoic acid

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide; palladium diacetate In water at 140℃; for 3h; Hiyama reaction;	97%
Stage #1: Triethoxyvinylsilane With sodium hydroxide In water at 20℃; for 0.0833333h; Sealed tube; Stage #2: 4-Bromobenzoic acid With palladium diacetate In water at 140℃; for 3h; Reagent/catalyst; Sealed tube;	97%

: 74-85-1
ethene

: 619-58-9
4-iodobenzoic acid

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With 10H-phenothiazine; bis(μ-chloro)bis{(2-(1-(hydroxyimino)methyl)phenyl-C1,N)palladium(II)}; potassium acetate In N,N-dimethyl acetamide at 105℃; under 775.743 Torr; for 18h; Heck-Mizoroki reaction; Inert atmosphere;	95%

: 2039-82-9
1-bromo-4-ethenyl-benzene

: 124-38-9
carbon dioxide

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With iodine; magnesium In tetrahydrofuran Grignard reaction;	93%
With diethylzinc; palladium diacetate; tert-butyl XPhos In hexanes; N,N-dimethyl acetamide at 40℃; under 7600.51 Torr; Automated synthesizer;	62%
With [2,2]bipyridinyl; lithium chloride; cobalt(II) iodide; zinc In N,N-dimethyl-formamide; acetonitrile at 40℃; under 760.051 Torr; for 14h; Sealed tube;	43%

: 124-38-9
carbon dioxide

: 676593-23-0
2-(4-ethenylphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With potassium tert-butylate; copper(l) chloride; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride In tetrahydrofuran at 70℃; under 760.051 Torr; for 24h;	93%
With (1,3-bis(2,6-diisopropyl-4-(morpholinomethyl)phenyl)imidazolidin-2-ylidene)copper(I) bromide; potassium tert-butylate In tetrahydrofuran under 760.051 Torr; for 24h; Inert atmosphere; Schlenk technique; Reflux; Green chemistry;	88%
Stage #1: carbon dioxide; 5,5-dimethyl-2-(4-ethenylphenyl)-1,3,2-dioxaborinane With potassium tert-butylate; silver(I) acetate; triphenylphosphine In tetrahydrofuran at 70℃; under 15201 Torr; for 16h; Inert atmosphere; Autoclave; Stage #2: With hydrogenchloride In tetrahydrofuran; water Inert atmosphere;	82%
Stage #1: carbon dioxide; 5,5-dimethyl-2-(4-ethenylphenyl)-1,3,2-dioxaborinane With copper(l) iodide; 5,5-bis(4,5-dihydrooxazol-2-yl)nonane; cesium fluoride In N,N-dimethyl-formamide at 90℃; under 760.051 Torr; for 10h; Stage #2: With hydrogenchloride; water In N,N-dimethyl-formamide	70%

: 619-58-9
4-iodobenzoic acid

: 1826-67-1
vinyl magnesium bromide

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
Stage #1: vinyl magnesium bromide With gallium(III) trichloride In tetrahydrofuran; hexane; dimethyl sulfoxide at 25℃; Stage #2: 4-iodobenzoic acid With tris-(o-tolyl)phosphine; tris(dibenzylideneacetone)dipalladium(0) chloroform complex In tetrahydrofuran; hexane; dimethyl sulfoxide Heating;	89%

: 50-00-0
formaldehyd

: ((4-carboxyphenyl)methyl)triphenylphosphonium bromide

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
Stage #1: formaldehyd; ((4-carboxyphenyl)methyl)triphenylphosphonium bromide With sodium hydroxide In water at 0 - 20℃; for 48h; Stage #2: With hydrogenchloride In water	89%
With sodium hydroxide at 20℃;	73%

: 124-38-9
carbon dioxide

: 2351-50-0
4-iodostyrene

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With 3,4-benzo-1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene; cesium fluoride In N,N-dimethyl-formamide at 0 - 20℃; under 760.051 Torr; for 2h;	87%

: 1609956-63-9
(benzo[a]acridin-12-yl)methyl 4-vinylbenzoate

A: 1075-49-6
4-ethenylbenzoic acid

B: 1609956-67-3
(benzo[a]acridin-12-yl)methanol

Conditions

Conditions	Yield
In water; acetonitrile for 7.16667h; Quantum yield; Photolysis; Inert atmosphere;	A 83% B n/a

: 1074-61-9
(4-vinyl-phenyl)-methanol

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With oxygen at 120℃; for 16h; Green chemistry;	83%

: 150-13-0
4-amino-benzoic acid

: potassium vinyltrifluoroborate

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 4-amino-benzoic acid Diazotization; Stage #2: potassium vinyltrifluoroborate; Pd2(μ-OAc)22 In methanol at 20℃; for 0.25h; Arylation;	72%

: 1779-49-3
Methyltriphenylphosphonium bromide

: 619-66-9
4-Carboxybenzaldehyde

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 2h; Schlenk technique; Stage #2: 4-Carboxybenzaldehyde In tetrahydrofuran at 0 - 20℃;	72%
Wittig Olefination; Alkaline conditions;

: 1073-67-2
4-vinylbenzyl chloride

: 124-38-9
carbon dioxide

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 4-vinylbenzyl chloride With magnesium In tetrahydrofuran at 35℃; for 2h; Stage #2: carbon dioxide In tetrahydrofuran for 3h;	62%
With iodine; magnesium 1.) tetrahydrofuran, reflux, 1 h; 2.) tetrahydrofuran, aq H2SO4; Yield given. Multistep reaction;

: 78-08-0
Triethoxyvinylsilane

: 619-58-9
4-iodobenzoic acid

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water at 100℃; for 18h; Hiyama Coupling; Sealed tube;	59%

: 119072-55-8, 7188-38-7
tert-butylisonitrile

: 2156-04-9
4-Vinylphenylboronic acid

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
Stage #1: tert-butylisonitrile; 4-Vinylphenylboronic acid With copper diacetate; palladium diacetate In N,N-dimethyl-formamide at 100℃; for 24h; Molecular sieve; Sealed tube; Stage #2: With water In N,N-dimethyl-formamide Molecular sieve; Sealed tube;	49%

: 586-76-5
4-Bromobenzoic acid

: 79-10-7
acrylic acid

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With N,N,N',N'',N'''-pentamethyldiethylenetriamine; tetrabutylammomium bromide; palladium diacetate; DavePhos In 1-methyl-pyrrolidin-2-one at 130℃; for 12h; Inert atmosphere; chemoselective reaction;	41%

: 3435-51-6
4-ethenylbenzonitrile

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide; hydroquinone

: 1076-96-6
methyl 4-vinylbenzoate

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide; copper
Stage #1: methyl 4-vinylbenzoate With sodium hydroxide In methanol; water at 20℃; for 2h; Stage #2: With hydrogenchloride In methanol; water pH=1; Inert atmosphere;

: 1791-26-0
4-vinyl-benzaldehyde

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With silver(l) oxide

: 105-06-6
1,4-Divinylbenzene

A: 100-21-0
terephthalic acid

B: 1075-49-6
4-ethenylbenzoic acid

C: 1791-26-0
4-vinyl-benzaldehyde

D: 623-27-8
terephthalaldehyde,

Conditions

Conditions	Yield
With pyridine; dimethylsulfide; oxygen; ozone 1.) CH2Cl2, -78 deg C- -75 deg C, 5 hrs., 2.) CH2Cl2, r.t., 2 hrs.; Yield given. Multistep reaction;

...Expand

: 619-58-9
4-iodobenzoic acid

: 7486-35-3
tri-n-butyl(vinyl)tin

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With lithium hydroxide; caesium carbonate; potassium iodide; Merrifield resin; tetrakis(triphenylphosphine) palladium(0) 1.) DMF, 80 deg C, 16 h; 2.) DMF, 60 degC, 24 h; 3.) THF, MeOH, H2O, reflux, 18 h; Yield given. Multistep reaction;

: 586-76-5
4-Bromobenzoic acid

: 7486-35-3
tri-n-butyl(vinyl)tin

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With lithium hydroxide; caesium carbonate; potassium iodide; Merrifield resin; tetrakis(triphenylphosphine) palladium(0) 1.) DMF, 80 deg C, 16 h; 2.) DMF, 60 degC, 24 h; 3.) THF, MeOH, H2O, reflux, 18 h; Yield given. Multistep reaction;

(+-)-4-<1-bromo-ethyl>-benzonitrile: (+-)-4-<1-bromo-ethyl>-benzonitrile

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide; hydroquinone

4-vinyl-phenyl magnesium bromide: 4-vinyl-phenyl magnesium bromide

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With carbon dioxide
With carbon dioxide

4-vinyl-phenyl magnesium chloride: 4-vinyl-phenyl magnesium chloride

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With tetrahydrofuran; carbon dioxide

: 593-60-2
Vinyl bromide

: 14047-29-1
4-carboxyphenylboronic acid

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
With palladium diacetate; triphenylphosphine In tetrahydrofuran; methanol at 100℃; for 1h; Suzuki coupling;

: 6232-88-8
4-bromomethylbenzoic Acid

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 82 percent / acetone / 6 h / Heating 2: 73 percent / aq. NaOH / 20 °C View Scheme
Multi-step reaction with 2 steps 1: acetone / 3 h / Reflux 2: sodium hydroxide / water / 48 h / 0 - 20 °C View Scheme

: 23359-08-2
4-formylcinnamic acid

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: copper (II)-acetate; quinoline; copper-powder / 300 - 310 °C 2: silver oxide View Scheme

: 623-27-8
terephthalaldehyde,

: 1075-49-6
4-ethenylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: pyridine; ethanol 2: copper (II)-acetate; quinoline; copper-powder / 300 - 310 °C 3: silver oxide View Scheme

: 1075-49-6
4-ethenylbenzoic acid

: 1565-41-9
p-vinylbenzoyl chloride

Conditions

Conditions	Yield
With oxalyl dichloride In chloroform; N,N-dimethyl-formamide for 5h; Reflux;	100%
With phosphorus trichloride In acetonitrile at 60℃; for 6h; Inert atmosphere;	81%
With thionyl chloride In N,N-dimethyl-formamide for 2.5h; Heating;	76%

: 1075-49-6
4-ethenylbenzoic acid

: 619-64-7
p-ethylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 4-ethenylbenzoic acid With palladium diacetate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In dichloromethane at 25℃; for 12h; Schlenk technique; Inert atmosphere; Stage #2: With hydrogenchloride In water	99%
With palladium diacetate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In dichloromethane at 25℃; for 12h; Sealed tube; Inert atmosphere; chemoselective reaction;	99%
With Decaborane; palladium on activated charcoal In methanol at 25℃; for 1h; Reduction;	92%
With ammonium formate; PdMCM-41 In methanol at 69.84℃; for 5h;	80%

: 1075-49-6
4-ethenylbenzoic acid

: 100-51-6
benzyl alcohol

: benzyl 4-vinylbenzoate

Conditions

Conditions	Yield
Stage #1: 4-ethenylbenzoic acid With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Stage #2: benzyl alcohol With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h;	99%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 43h;	92%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 43h;	92%

: 1075-49-6
4-ethenylbenzoic acid

: 98590-59-1
4-(1,2-dibromoethyl)benzoic acid

Conditions

Conditions	Yield
With bromine In chloroform at 0 - 20℃; for 4h;	98%
With 1,1,1,3',3',3'-hexafluoro-propanol; N,N,N,N-tetraethylammonium tetrafluoroborate; ethylene dibromide In acetonitrile at 20℃; Inert atmosphere; Electrolysis;	32%
With bromine In chloroform

: 1075-49-6
4-ethenylbenzoic acid

: C31H49NO3

: methyl 3-hydroxy-1-cyano-2,3-seco-2-norlup-20(29)-en-28-oate 3-O-vinylbenzoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 12h;	98%

: 1075-49-6
4-ethenylbenzoic acid

: 456-27-9
4-nitrobenzenediazonium tetrafluoroborate

: 75-05-8
acetonitrile

: 4-(1-acetamido-2-(4-nitrophenyl)ethyl)benzoic acid

Conditions

Conditions	Yield
With tris(2,2'-bipyridyl)ruthenium dichloride; water at 20℃; for 4h; Meerwein Arylation; Irradiation;	97%

...Expand

: 1075-49-6
4-ethenylbenzoic acid

: 335248-50-5
((1S,2R,1'R,2'R,1''R,2''R,1'''R,2'''R,1''''R,2''''S)-2''''-Vinyl-[1,2';1',1'';2'',1''';2''',1'''']quinquecyclopropan-2-yl)-methanol

: 335248-51-6
(1R,3S,4R,6S,7R,9S,10R,12S,13R,15S)-15-ethenyl-1-quinquecyclopropanemethyl 4-ethenylbenzoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Steglich esterification;	96%

: 1075-49-6
4-ethenylbenzoic acid

: 67-68-5
dimethyl sulfoxide

: 4-vinyl-benzoic acid methylsulfanylmethyl ester

Conditions

Conditions	Yield
With oxalyl dichloride; triethylamine In dichloromethane at -60 - 20℃; for 0.5h; Swern oxidation;	96%

: 1075-49-6
4-ethenylbenzoic acid

: 12-aminododecanoic acid methyl ester hydrochloride

: 1325728-24-2
C22H33NO3

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 0 - 20℃;	96%

: 1075-49-6
4-ethenylbenzoic acid

: H2O2Re6S8*4C9H13N

: C18H14O4Re6S8*4C9H13N

Conditions

Conditions	Yield
In chlorobenzene at 90℃; for 48h;	96%

: 64-17-5
ethanol

: 1075-49-6
4-ethenylbenzoic acid

: 2715-43-7
ethyl 4-vinylbenzoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane	95%
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 12h; Inert atmosphere;	95%
Stage #1: 4-ethenylbenzoic acid With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Stage #2: ethanol With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h;	89%

: 1075-49-6
4-ethenylbenzoic acid

: 74-88-4
methyl iodide

: 1076-96-6
methyl 4-vinylbenzoate

Conditions

Conditions	Yield
With cesium fluoride In N,N-dimethyl-formamide at 20℃; for 2.5h; Inert atmosphere;	95%

: 1075-49-6
4-ethenylbenzoic acid

: 109-89-7
diethylamine

: N,N-diethyl-4-vinylbenzamide

Conditions

Conditions	Yield
Stage #1: 4-ethenylbenzoic acid With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Stage #2: diethylamine With dmap In dichloromethane at 0 - 20℃; for 2h;	94%
With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 5h;	74%

: 1075-49-6
4-ethenylbenzoic acid

: C28H35FeOPRu

: C37H41FeO2PRu

Conditions

Conditions	Yield
Stage #1: 4-ethenylbenzoic acid With dmap; dicyclohexyl-carbodiimide In dichloromethane for 0.25h; Sealed tube; Darkness; Inert atmosphere; Stage #2: C28H35FeOPRu In dichloromethane at 20℃; for 1.5h; Sealed tube; Darkness; Inert atmosphere;	94%

: 1075-49-6
4-ethenylbenzoic acid

: 1666-13-3
diphenyl diselenide

: 4-(1-hydroxy-2-(phenylselanyl)ethyl)benzoic acid

Conditions

Conditions	Yield
With iodosylbenzene; water In acetonitrile at 20℃; for 20h; diastereoselective reaction;	93%

: 67-56-1
methanol

: 1075-49-6
4-ethenylbenzoic acid

: 1076-96-6
methyl 4-vinylbenzoate

Conditions

Conditions	Yield
With sulfuric acid at 20℃; for 7h;	92%
With thionyl chloride	90%
With bromobenzene at 55 - 60℃; under 3750.38 - 4500.45 Torr; for 6h; Autoclave;	90%

: 109-99-9
tetrahydrofuran

: 1075-49-6
4-ethenylbenzoic acid

: 407-25-0
trifluoroacetic anhydride

: 4-vinyl-benzoic acid 4-(4-trifluoroacetoxy-butoxy)-butyl ester

Conditions

Conditions	Yield
rhenium(VII) oxide In dichloromethane at 20℃; for 24h;	92%

...Expand

: 1075-49-6
4-ethenylbenzoic acid

: 69221-14-3, 69257-04-1, 95189-65-4
(8S,9R)-(-)-N-benzylcinchonidinium chloride

: 1092983-06-6
N-9-benzylcinchonidinium p-vinylbenzoate

Conditions

Conditions	Yield
With sodium carbonate In dichloromethane; water	92%

: 1075-49-6
4-ethenylbenzoic acid

: 108-95-2
phenol

: 29568-12-5
4-vinylbenzoic acid phenyl ester

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃;	92%
Stage #1: 4-ethenylbenzoic acid; phenol With dmap In N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃;	53%

: 1075-49-6
4-ethenylbenzoic acid

: H2O2Re6Se8*4C9H13N

: C18H14O4Re6Se8*4C9H13N

Conditions

Conditions	Yield
In chlorobenzene at 90℃; for 48h;	92%

: 91-21-4
1,2,3,4-tetrahydroisoquinoline

: 931-53-3
Cyclohexyl isocyanide

: 1075-49-6
4-ethenylbenzoic acid

: 104-87-0
4-methyl-benzaldehyde

: N-cyclohexyl-2-(4-methylbenzyl)-N-(4-vinylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

Conditions

Conditions	Yield
In toluene at 80℃; Ugi Condensation; Molecular sieve; Sealed tube;	92%
In toluene at 60℃; for 17h; Molecular sieve;	92%

...Expand

: potassium cyanide

: 1075-49-6
4-ethenylbenzoic acid

: 18908-59-3
4-(1-cyanoethyl)-benzoic acid

Conditions

Conditions	Yield
Stage #1: potassium cyanide With acetic acid In ethylene glycol at 60℃; Sealed tube; Stage #2: 4-ethenylbenzoic acid With bis(1,5-cyclooctadiene)nickel (0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene at 60℃; for 18h; Sealed tube;	92%

: 1075-49-6
4-ethenylbenzoic acid

: 20118-38-1
chalcone-4-carboxylic acid

A: syn-4,4'-(cyclobutane-1,2-diyl)dibenzoic acid

: syn-4,4'-(3-benzoylcyclobutane-1,2-diyl)dibenzoic acid

C: syn-4,4'-(3,4-dibenzoylcyclobutane-1,2-diyl)dibenzoic acid

Conditions

Conditions	Yield
With cadmium(II) selenide In tetrahydrofuran at 20℃; for 48h; Irradiation; diastereoselective reaction;	A n/a B 92% C n/a

...Expand

: 1075-49-6
4-ethenylbenzoic acid

: 20118-38-1
chalcone-4-carboxylic acid

: syn-4,4'-(3-benzoylcyclobutane-1,2-diyl)dibenzoic acid

Conditions

Conditions	Yield
With cadmium(II) selenide In tetrahydrofuran at 20℃; for 48h; Irradiation; diastereoselective reaction;	92%

: 1075-49-6
4-ethenylbenzoic acid

: 20118-38-1
4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]benzoic acid

: syn-4,4'-(3-benzoylcyclobutane-1,2-diyl)dibenzoic acid

Conditions

Conditions	Yield
With oleate-capped CdSe quantum dots In tetrahydrofuran at 20℃; for 48h; Inert atmosphere; Sealed tube; Irradiation;	92%

4-Vinylbenzoic acid Specification

4-Vinylbenzoic acid is an organic compound with the formula C₉H₈O₂, and its systematic name is the same with the product name. With the CAS registry number 1075-49-6, it is also named as 4-Ethenylbenzoic acid. It belongs to the product categories of Carboxylicacid; Styrenes; Aromatics Compounds; Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research; Aromatics; Metabolites & Impurities. Its EINECS number is 214-053-4. In addition, the molecular weight is 148.16. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as a metabolite of 1,4-diethenylbenzene .

Physical properties of 4-Vinylbenzoic are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.90; (4)ACD/LogD (pH 7.4): -0.67; (5)ACD/BCF (pH 5.5): 1.42; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 19.37; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 44.107 cm³; (15)Molar Volume: 127.911 cm³; (16)Polarizability: 17.485×10^-24cm³; (17)Surface Tension: 46.69 dyne/cm; (18)Density: 1.158 g/cm³; (19)Flash Point: 132.833 °C; (20)Enthalpy of Vaporization: 56.052 kJ/mol; (21)Boiling Point: 291.315 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation of 4-Vinylbenzoic: this chemical can be prepared by 5-amino-1-(3-chloro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester at the temperature of 90 °C. This reaction will need reagents 10% aq. KOH, PdCl₂, PhP(m-C₆H₄SO₃Na)₂ with the reaction time of 3 hours. The yield is about 97%.

4-Vinylbenzoic can be prepared by 5-amino-1-(3-chloro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester at the temperature of 90 °C

Uses of 4-Vinylbenzoic: it can be used to produce 4-ethenyl-benzoyl chloride by heating. It will need reagent SOCl₂ and solvent dimethylformamide with the reaction time of 2.5 hours. The yield is about 76%.

4-Vinylbenzoic can be used to produce 4-ethenyl-benzoyl chloride by heating

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(\C=C)cc1
(2)Std. InChI: InChI=1S/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11)
(3)Std. InChIKey: IRQWEODKXLDORP-UHFFFAOYSA-N

Product Name

4-Vinylbenzoic acid

Synthetic route

4-Vinylbenzoic acid Specification

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