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| CAS No.: | 4890-85-1 |
|---|---|
| Name: | 2-Bibenzylcarboxylic acid |
| Article Data: | 41 |
| Molecular Structure: | |
|
|
|
| Formula: | C15H14O2 |
| Molecular Weight: | 226.275 |
| Synonyms: | Benzoicacid, o-phenethyl- (6CI,7CI,8CI);2-(2-Phenethyl)benzoic acid;2-(2-Phenylethyl)benzoic acid;2-(Phenethyl)benzoic acid;o-Phenethylbenzoic acid; |
| EINECS: | 225-511-8 |
| Density: | 1.157 g/cm3 |
| Melting Point: | 127-132 °C |
| Boiling Point: | 358.4 °C at 760 mmHg |
| Flash Point: | 168.8 °C |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 37.30000 |
| LogP: | 3.17000 |
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- 35040-52-9
o-(2-bromoethyl)benzaldehyde
- 4890-85-1
o-phenethylbenzoic acid
| 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% |
| 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% |
| 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 | 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 |
| 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 |
| 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; |
| 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 | 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 |
| 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 | Yield |
|---|---|
| With hydrogenchloride; sodium amalgam; ethanol |
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Chemistry
Molecular Structure:
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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
Safety Profile
Hazard Codes of 2-Bibenzylcarboxylic acid (CAS NO.4890-85-1): 
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.