2-Bibenzylcarboxylic acid supplier

Name
2-Bibenzylcarboxylic acid
EINECS 225-511-8
CAS No. 4890-85-1
Article Data41
CAS DataBase
Density 1.157 g/cm³
Solubility
Melting Point 127-132 °C
Formula C₁₅H₁₄O₂
Boiling Point 358.4 °C at 760 mmHg
Molecular Weight 226.275
Flash Point 168.8 °C
Transport Information
Appearance white to off-white crystalline powder
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, o-phenethyl- (6CI,7CI,8CI);2-(2-Phenethyl)benzoic acid;2-(2-Phenylethyl)benzoic acid;2-(Phenethyl)benzoic acid;o-Phenethylbenzoic acid;
PSA 37.30000
LogP 3.17000

Synthetic route

: potassium 4-methyl-1-phenyl-2,6,7-trioxa-1-borabicyclo-[2.2.2]octan-1-uide

: 35040-52-9
o-(2-bromoethyl)benzaldehyde

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With dmap; dichloro bis(acetonitrile) palladium(II); bis-[(trifluoroacetoxy)iodo]benzene In 1,4-dioxane; acetonitrile at 70℃; for 24h; Temperature; Reagent/catalyst;	97.2%

: 4767-56-0
(Z)-3-benzylidenephthalide

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With hydrogen; nickel In isopropyl alcohol at 60℃; under 3102.9 Torr; 20-24 h, other reagents: palladium or platinum on carbon, platinum oxide;	96%

: 5079-90-3
(E)-2-styrylbenzoic acid

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With oxygen; guanidine nitrate; hydrazine hydrate In ethanol at 80℃; under 760.051 Torr; for 16h;	95%
Multi-step reaction with 2 steps 1: chloroform; chlorine 2: palladium/charcoal; ethanol / Hydrogenation View Scheme
Multi-step reaction with 2 steps 1: ethanol / Irradiation 2: palladium/charcoal; ethanol / Hydrogenation View Scheme
Multi-step reaction with 2 steps 1: ethanol / Irradiation.UV-Licht 2: palladium/charcoal; ethanol / Hydrogenation View Scheme

: 60901-21-5, 5079-90-3, 66374-10-5
2-styrylbenzoic acid

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With sodium tetrahydroborate; sodium hydroxide In water at 20 - 60℃;	89%
With iron(III) chloride hexahydrate; hydrazine hydrate In ethanol at 80℃; for 24h;	75%
With palladium carbon (20 wt%); hydrogen under 760.051 Torr;	905 mg

: 7011-98-5
3-benzyl-3H-isobenzofuran-1-one

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With palladium 10% on activated carbon; W(OTf)6; hydrogen; acetic acid at 100℃; under 760.051 Torr; for 12h;	86%
With palladium on activated carbon; W(OTf)6; hydrogen In acetic acid at 50℃; under 760.051 Torr; for 12h;	86%
With chloro-trimethyl-silane; sodium iodide In acetonitrile for 2h; Heating;	2%
With hydrogenchloride; sodium amalgam; ethanol

: 575-61-1
Isoaurone

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With limonene.; palladium on activated charcoal for 3h; Heating;	86%
With phosphorus; hydrogen iodide
(i) aq. KOH, (ii) (electrochemical reduction); Multistep reaction;
With phosphorus; hydrogen iodide at 165 - 170℃;
(i) aq. NaOH, (ii) H2, Pd-C; Multistep reaction;

: 124-38-9
carbon dioxide

: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With Et3SiB(C6F5)4 In chlorobenzene at 20℃; under 22502.3 Torr; for 18h;	73%

: 869070-21-3
2-[2-(3-bromo-phenyl)-vinyl]-benzoic acid

A: 198707-81-2
2-(3-bromophenethyl)benzoic acid

B: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 2-[2-(3-bromo-phenyl)-vinyl]-benzoic acid With ammonia In water at 50℃; for 0.5h; Charcoal; Stage #2: With hydrogen; 5% rhodium-on-charcoal In water at 47℃; under 15201 - 22801.5 Torr; for 0.5h; Stage #3: With hydrogenchloride In water pH=2;	A 71% B n/a

: 575-61-1
Isoaurone

A: 7011-98-5
3-benzyl-3H-isobenzofuran-1-one

B: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With phosphorus; hydrogen iodide In toluene at 120℃; for 15h;	A 12% B 65%
With phosphorus; hydrogen iodide at 120℃; for 4h; Product distribution; other reag., other reaction time; without/with irrad.;	A 50% B 35%

: 2674-44-4, 146518-60-7
3-phenyl-isochroman-1-one

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; sodium amalgam; ethanol

: 66374-10-5
(Z)-2-(2-phenylethenyl)benzoic acid

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With palladium on activated charcoal; ethanol Hydrogenation;

: 100954-88-9
(+/-)-cis-4-chloro-3-phenyl-isochroman-1-one

A: 2674-44-4, 146518-60-7
3-phenyl-isochroman-1-one

B: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With palladium on activated charcoal; ethanol Hydrogenation;

: 100954-88-9
(+/−)-trans-4-chloro-3-phenylisochroman-1-one

A: 2674-44-4, 146518-60-7
3-phenyl-isochroman-1-one

B: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With palladium on activated charcoal; ethanol Hydrogenation;

: Potassium; 2-((E)-styryl)-benzoate

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide; nickel

: 5505-02-2
ethyl 2-phenethylbenzoate

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 2h; Heating; Yield given;

: 118-90-1
ortho-methylbenzoic acid

: 620-05-3
iodomethylbenzene

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With sec.-butyllithium 1.) THF, cyclohexane, -78 deg C, 1 h, 2.) THF, cyclohexane, RT, 4 h; Yield given. Multistep reaction;

: 4809-08-9
3-phenyl-isocoumarin

: 10034-85-2
hydrogen iodide

red phosphorus: red phosphorus

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
at 200℃; Im geschlossenen Rohr;

...Expand

: 10034-85-2
hydrogen iodide

: 575-61-1
Isoaurone

red phosphorus: red phosphorus

: 4890-85-1
o-phenethylbenzoic acid

...Expand

: 10034-85-2
hydrogen iodide

: 6317-67-5
(α-bromo-benzylidene)-phthalide

red phosphorus: red phosphorus

: 4890-85-1
o-phenethylbenzoic acid

...Expand

aqueous solution of sodium-salt of/the/ trans-stilbene-carboxylic acid-(2): aqueous solution of sodium-salt of/the/ trans-stilbene-carboxylic acid-(2)

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With sodium amalgam

deoxybenzoin-carboxylic acid-(2): deoxybenzoin-carboxylic acid-(2)

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With phosphorus; hydrogen iodide at 190℃; im geschlossenen Rohr;

isobenzylidenephthalide: isobenzylidenephthalide

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With phosphorus; hydrogen iodide at 200℃; im geschlossenen Rohr;

: 33148-55-9
2-(2-phenylacetyl)benzoic acid

: 10034-85-2
hydrogen iodide

phosphorus: phosphorus

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
at 190℃;

...Expand

: 194605-53-3
methyl 2-(2-phenylethyl)benzoate

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 20℃; for 15h;

: 38453-72-4
(E)-methyl 2-styrylbenzoate

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2 / 5percent Pd/C / ethanol; ethyl acetate / 0.67 h / 20 °C / 1875.19 Torr 2: aq. NaOH / methanol / 15 h / 20 °C View Scheme

: 60494-73-7
(2-methoxycarbonylbenzyl)triphenylphosphonium bromide

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: KOt-Bu / tetrahydrofuran / 1 h / 80 °C 1.2: tetrahydrofuran / 0.5 h / 80 °C 2.1: H2 / 5percent Pd/C / ethanol; ethyl acetate / 0.67 h / 20 °C / 1875.19 Torr 3.1: aq. NaOH / methanol / 15 h / 20 °C View Scheme

: 100-52-7
benzaldehyde

(C5H5)2(Cl)Zr{trans-CH=CH[CH2]4OSi(CH3)2(t-Bu)}: (C5H5)2(Cl)Zr{trans-CH=CH[CH2]4OSi(CH3)2(t-Bu)}

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: KOt-Bu / tetrahydrofuran / 1 h / 80 °C 1.2: tetrahydrofuran / 0.5 h / 80 °C 2.1: H2 / 5percent Pd/C / ethanol; ethyl acetate / 0.67 h / 20 °C / 1875.19 Torr 3.1: aq. NaOH / methanol / 15 h / 20 °C View Scheme

: 87717-18-8
Ethyl 2-(2-phenylethenyl)benzoate

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2 / 5percent Pd/C / ethanol / 2 h / 3102.9 Torr 2: KOH / ethanol / 2 h / Heating View Scheme

: 59636-00-9
(o-ethoxycarbonylbenzyl)triphenylphosphonium bromide

: 4890-85-1
o-phenethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 2: H2 / 5percent Pd/C / ethanol / 2 h / 3102.9 Torr 3: KOH / ethanol / 2 h / Heating View Scheme

: 4890-85-1
o-phenethylbenzoic acid

: 95-54-5
1,2-diamino-benzene

: N-(2-aminophenyl)-2-phenethylbenzamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃; for 12h;	98%

: 4890-85-1
o-phenethylbenzoic acid

: 835-78-9
[2-(2-phenylethyl)phenyl]methanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride	96%
With lithium aluminium tetrahydride; diethyl ether
With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; for 3.41667h;
With lithium aluminium tetrahydride In diethyl ether at 40℃; for 2h;

: 4890-85-1
o-phenethylbenzoic acid

: 2674-44-4, 146518-60-7
3-phenyl-isochroman-1-one

Conditions

Conditions	Yield
With 2,4,6-triphenylpyrylium tetrafluoroborate; iodine In 1,2-dichloro-ethane at 20℃; for 18h; Irradiation;	96%
With 2,4,6-triphenylpyrylium tetrafluoroborate; oxygen; acetic acid; zinc(II) iodide In dichloromethane at 20℃; for 72h; Irradiation; regioselective reaction;	72%
With dipotassium peroxodisulfate; copper(II) acetate monohydrate; acetic acid In water at 105℃; for 2h;	65%
With tetrabutylammonium tetrafluoroborate In methanol; acetonitrile at 20℃; Electrochemical reaction; regioselective reaction;	53%

: 4890-85-1
o-phenethylbenzoic acid

: 1210-35-1
10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one

Conditions

Conditions	Yield
With Nafion-H In various solvent(s) at 180℃; for 3h; Acylation; Friedel-Crafts intramolecular acylation;	95%
With ZSM-5 In 1,2-dichloro-ethane at 0 - 90℃; for 6h; Solvent; Temperature; Inert atmosphere; Molecular sieve;	95%
Nafion-H In xylene for 12h; Heating;	90%

: 201230-82-2
carbon monoxide

: 4890-85-1
o-phenethylbenzoic acid

: 35157-38-1
3-phenethylphthalic acid

Conditions

Conditions	Yield
With sodium acetate; palladium diacetate; silver carbonate In 1,4-dioxane at 130℃; under 760.051 Torr; for 18h;	93%

: 4890-85-1
o-phenethylbenzoic acid

: C53H74N4O4

: C83H98N4O6

Conditions

Conditions	Yield
Stage #1: o-phenethylbenzoic acid With thionyl chloride In N,N-dimethyl-formamide; toluene at 20 - 50℃; for 1h; Stage #2: C53H74N4O4 With sodium hydroxide In N,N-dimethyl-formamide; toluene at 10 - 20℃; for 5h;	91%

: 4890-85-1
o-phenethylbenzoic acid

: N-tosyl-1,2-oxazetidine

: C23H21NO3S

Conditions

Conditions	Yield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; potassium pivalate In toluene at 140℃; for 10h;	76%

: 16939-57-4
(E)-1-Phenyl-1,3-butadiene

: 4890-85-1
o-phenethylbenzoic acid

: (E)-8-phenethyl-3-styrylisochroman-1-one

Conditions

Conditions	Yield
With palladium(II) sulfate; copper diacetate In N,N-dimethyl-formamide at 110℃; for 24h; Inert atmosphere; Sealed tube;	74%

: 4312-99-6
oct-1-en-3-one

: 4890-85-1
o-phenethylbenzoic acid

A: C23H26O3

B: 2-(3-oxooctyl)-7-phenethyl-2,3-dihydro-1H-inden-1-one

Conditions

Conditions	Yield
With manganese(II)carbonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 In water; acetonitrile at 150℃; for 20h; Inert atmosphere;	A 6 %Spectr. B 73%

...Expand

: 4890-85-1
o-phenethylbenzoic acid

A: 7011-98-5
3-benzyl-3H-isobenzofuran-1-one

B: 2674-44-4, 146518-60-7
3-phenyl-isochroman-1-one

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; copper diacetate; acetic acid In water at 105℃;	A 8% B 68%

: 4890-85-1
o-phenethylbenzoic acid

: 2,2,2,-trichloroethoxycarbonyl azide

: C17H16Cl3NO2

Conditions

Conditions	Yield
With dmap; potassium carbonate In 1,2-dichloro-ethane at 90℃; for 3h;	68%

: 1629-58-9
4-penten-3-one

: 4890-85-1
o-phenethylbenzoic acid

: 2-phenylethyl-6-(3-oxopentyl)benzoic acid

Conditions

Conditions	Yield
With [RhCl2(p-cymene)]2 In water at 95℃; for 12h; Sealed tube;	67%

: 1629-58-9
4-penten-3-one

: 4890-85-1
o-phenethylbenzoic acid

: 4-ethyl-3-methyl-7′-phenethylspiro[cyclohex[3]ene-1,2′-indene]-1′,2(3′H)-dione

Conditions

Conditions	Yield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; manganese(II) acetate In acetonitrile at 150℃; for 20h; Inert atmosphere;	65%

: 1663-39-4
tert-Butyl acrylate

: 4890-85-1
o-phenethylbenzoic acid

: (E)-tert-butyl 2-(3-oxo-4-phenethylisobenzofuran-1(3H)-ylidene)acetate

Conditions

Conditions	Yield
With copper(I) oxide; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver carbonate In toluene at 105℃; for 1.5h; stereoselective reaction;	60%

: 524-38-9
N-hydroxyphthalimide

: 4890-85-1
o-phenethylbenzoic acid

: 1,3-dioxoisoindolin-2-yl 2-phenethylbenzoate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; Inert atmosphere;	59%

: 930-88-1
N-methylmaleimide

: 4890-85-1
o-phenethylbenzoic acid

: C20H19NO4

Conditions

Conditions	Yield
With sodium dihydrogenphosphate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; water at 85℃; for 24h; Green chemistry; chemoselective reaction;	55%

: 4890-85-1
o-phenethylbenzoic acid

: 7011-98-5
3-benzyl-3H-isobenzofuran-1-one

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; iodine In 1,2-dichloro-ethane at 75℃; Photolysis;	44%

: 4890-85-1
o-phenethylbenzoic acid

A: 4809-08-9
3-phenyl-isocoumarin

B: 2674-44-4, 146518-60-7
3-phenyl-isochroman-1-one

Conditions

Conditions	Yield
With sodium bromate; magnesium chloride In acetonitrile at 20℃; for 18h; Inert atmosphere; Irradiation; Sealed tube;	A 40% B 39%

: 186581-53-3, 908094-01-9
diazomethane

: 4890-85-1
o-phenethylbenzoic acid

: 194605-53-3
methyl 2-(2-phenylethyl)benzoate

Conditions

Conditions	Yield
With diethyl ether

2-Bibenzylcarboxylic acid Chemical Properties

Molecular Structure:

Molecular Formula: C₁₅H₁₄O₂
Molecular Weight: 226.2705
IUPAC Name: 2-Phenethylbenzoic acid
Synonyms of 2-Bibenzylcarboxylic acid (CAS NO.4890-85-1): EINECS 225-511-8 ; o-Phenethylbenzoic acid
CAS NO: 4890-85-1
Melting point: 127-132 °C
Index of Refraction: 1.603
Molar Refractivity: 67.21 cm³
Molar Volume: 195.4 cm³
Surface Tension: 49.3 dyne/cm
Density: 1.157 g/cm³
Flash Point: 168.8 °C
Enthalpy of Vaporization: 63.72 kJ/mol
Boiling Point: 358.4 °C at 760 mmHg
Vapour Pressure of 2-Bibenzylcarboxylic acid (CAS NO.4890-85-1): 9.26E-06 mmHg at 25°C

2-Bibenzylcarboxylic acid Safety Profile

Hazard Codes of 2-Bibenzylcarboxylic acid (CAS NO.4890-85-1): Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39: Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Product Name

2-Bibenzylcarboxylic acid

Synthetic route

2-Bibenzylcarboxylic acid Chemical Properties

2-Bibenzylcarboxylic acid Safety Profile

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