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| CAS No.: | 2128-93-0 |
|---|---|
| Name: | 4-Benzoylbiphenyl |
| Article Data: | 238 |
| Molecular Structure: | |
|
|
|
| Formula: | C19H14O |
| Molecular Weight: | 258.32 |
| Synonyms: | Benzophenone,4-phenyl- (6CI,7CI,8CI);(Biphenyl-4-yl)(phenyl)methanone;4-(Phenylcarbonyl)biphenyl;4-Biphenylyl phenyl ketone;4-Phenylbenzophenone;4-Phenylphenyl phenyl methanone;Eusolex 3490;GenocurePBZ;NSC 55283;NSC 97365;Phenyl p-biphenylyl ketone;Speedcure BPZ;Trigonal12;p-Benzoylbiphenyl;p-Biphenylyl phenyl ketone;p-Phenylbenzophenone; |
| EINECS: | 218-345-2 |
| Density: | 1.266 g/cm3 |
| Melting Point: | 99-101 °C |
| Boiling Point: | 419.1 °C at 760 mmHg |
| Flash Point: | 190.7 °C |
| Solubility: | 73.6μg/L at 20℃ |
| Appearance: | off white crystalline powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 24/25-36-26 |
| PSA: | 17.07000 |
| LogP: | 4.58460 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
| Conditions | Yield |
|---|---|
| With KNa4[Ag(HIO6)2]*12H2O In water Heating; | 100% |
| With aluminium trichloride; 1-butyl-4-aza-1-azoniabicyclo[2.2.2]octane chlorochromate In acetonitrile for 3h; Heating; | 94% |
| With diisopropyl-carbodiimide In toluene at 120℃; for 24h; Inert atmosphere; Sealed tube; | 93% |
| Conditions | Yield |
|---|---|
| With water for 1080h; | A 100% B 100% |
- 90-90-4
(4-bromophenyl)(phenyl)methanone
- 98-80-6
phenylboronic acid
- 2128-93-0
biphenyl-4-yl-phenyl-methanone
| Conditions | Yield |
|---|---|
| With trans-chloro(1-naphthyl)bis-(triphenylphosphine)nickel(II); tricyclohexylphosphine tetrafluoroborate; potassium carbonate In water; toluene at 20℃; for 24h; Suzuki-Miyaura cross-coupling reaction; Inert atmosphere; | 99% |
| With potassium carbonate In water; N,N-dimethyl-formamide at 100℃; for 6h; Reagent/catalyst; Suzuki-Miyaura Coupling; | 99% |
| With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane In xylene at 130℃; for 72h; Suzuki cross-coupling reaction; | 98% |
| Conditions | Yield |
|---|---|
| With potassium phosphate monohydrate; 1-methyl-2-(2-(dicyclohexylphosphino)phenyl)-1H-benzoimidazole; palladium diacetate In 1,4-dioxane at 135℃; for 24h; Suzuki-Miyaura coupling; Inert atmosphere; | 99% |
| With 2-chloro-1,3-[di-(2,6-diisopropyl)phenyl]-1,3,2-diazaphospholidine; tris-(dibenzylideneacetone)dipalladium(0); cesium fluoride In 1,4-dioxane at 80℃; for 19h; Suzuki-Miyaura cross-coupling; Inert atmosphere; | 98% |
| With {N,N-bis((3,5-dimethylpyrazol-1-yl)methyl)benzylamine}PdCl2; tetrabutylammomium bromide; caesium carbonate In water; N,N-dimethyl-formamide at 120℃; for 5h; Suzuki-Miyaura cross-coupling; | 93% |
- 2996-92-1
phenyl trimethylsiloxane
- 134-85-0
4-chlorobenzophenone
- 2128-93-0
biphenyl-4-yl-phenyl-methanone
| Conditions | Yield |
|---|---|
| With 3-(dicyclohexylphosphino)-2-(2-methoxyphenyl)-1-methyl-1-H-indole; tetrabutyl ammonium fluoride; palladium diacetate In toluene at 110℃; for 3h; Hiyama Coupling; Schlenk technique; Inert atmosphere; Sealed tube; | 99% |
| With tetrabutyl ammonium fluoride; [Pd(dibenzylideneacetone)2] In 1,4-dioxane at 80℃; for 17h; Hiyama cross-coupling; | 65% |
| Conditions | Yield |
|---|---|
| Stage #1: bromobenzene With lithium Stage #2: With zinc(II) chloride Stage #3: 4-chlorobenzophenone; nickel phosphine amido pincer complex In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 70℃; for 6h; Negishi cross-coupling; Further stages.; | 99% |
- 131086-39-0
4-benzoylphenyl 4-methylbenzenesulfonate
- 98-80-6
phenylboronic acid
- 2128-93-0
biphenyl-4-yl-phenyl-methanone
| Conditions | Yield |
|---|---|
| With trans-chloro(1-naphthyl)bis-(triphenylphosphine)nickel(II); potassium carbonate; triphenylphosphine In toluene at 100℃; for 5h; Suzuki coupling; Inert atmosphere; | 99% |
| With trans-chloro(1-naphthyl)bis-(triphenylphosphine)nickel(II); tricyclohexylphosphine tetrafluoroborate; potassium carbonate In water; toluene at 20℃; for 24h; Suzuki-Miyaura cross-coupling reaction; Inert atmosphere; | 90% |
- 83887-62-1
4-benzoylphenyl methane sulfonate
- 98-80-6
phenylboronic acid
- 2128-93-0
biphenyl-4-yl-phenyl-methanone
| Conditions | Yield |
|---|---|
| With 1-methyl-2-(2-(dicyclohexylphosphino)phenyl)-1H-benzoimidazole; palladium diacetate; sodium carbonate In tert-butyl alcohol at 20 - 120℃; for 18h; Suzuki-Miyaura coupling; | 99% |
| With potassium phosphate; 2-[2-(dicyclohexylphosphino)-phenyl]-1-methyl-1H-indole; palladium diacetate In tert-butyl alcohol at 110℃; for 12h; Suzuki-Miyaura Coupling; Inert atmosphere; | 97% |
| Conditions | Yield |
|---|---|
| With tris(dibenzylideneacetone)dipalladium (0); 2,8,9-tribenzyl-2,3,8,9-tetraaza-1-phosphabicyclo[3,3,3]undecane; cesium fluoride In 1,4-dioxane at 60℃; for 28h; Stille cross-coupling; | 98% |
| With P(i-BuNCH2CH2)3N; cesium fluoride; tris(dibenzylideneacetone)dipalladium (0) In 1,4-dioxane at 100℃; for 30h; Stille reaction; | 93% |
| Conditions | Yield |
|---|---|
| Stage #1: triethoxyphenylsilane With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 1h; Stage #2: 4-iodobenzophenone With [Pd{C6H4(CH2N(CH2Ph)2)}(μ-Br)]2 In N,N-dimethyl-formamide at 90℃; for 0.0666667h; Hiyama coupling; Microwave irradiation; | 96% |
| Stage #1: triethoxyphenylsilane With tetrabutyl ammonium fluoride In N,N-dimethyl-formamide at 20℃; for 1h; Hiyama Coupling; Stage #2: 4-iodobenzophenone With [Pd{C6H2(CH2CH2NH2)-(OMe)2-2,3}(μ-Br)]2 In N,N-dimethyl-formamide at 100℃; for 0.0333333h; Hiyama Coupling; Microwave irradiation; | 95% |
| With bis-triphenylphosphine-palladium(II) chloride; tetrabutylphosphonium 4-ethoxyvalerate; tetrabutyl ammonium fluoride at 130℃; for 24h; Hiyama Coupling; Green chemistry; | 58% |
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Specification
The 4-Benzoylbiphenyl, with the CAS registry number 2128-93-0, is also known as ((1,1'-Biphenyl)-4-yl)phenylmethanone. It belongs to the product categories of Photo Initiators; Fine Chemical & Intermediates; Biphenyl Derivatives. Its EINECS registry number is 218-345-2. This chemical's molecular formula is C19H14O and molecular weight is 258.31. Its IUPAC name is called phenyl-(4-phenylphenyl)methanone. This chemical's classification code is Drug / Therapeutic Agent. It is used for pharmaceutical intermediates and uv-curable initiator.
Physical properties of 4-Benzoylbiphenyl: (1)ACD/LogP: 5.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.37; (4)ACD/LogD (pH 7.4): 5.37; (5)ACD/BCF (pH 5.5): 7054.45; (6)ACD/BCF (pH 7.4): 7054.45; (7)ACD/KOC (pH 5.5): 19784.31; (8)ACD/KOC (pH 7.4): 19784.31; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 80.63 cm3; (13)Molar Volume: 232.8 cm3; (14)Surface Tension: 44.1 dyne/cm; (15)Density: 1.109 g/cm3; (16)Flash Point: 184.3 °C; (17)Enthalpy of Vaporization: 67.28 kJ/mol; (18)Boiling Point: 419.1 °C at 760 mmHg; (19)Vapour Pressure: 3.11E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-Phenyl-benzhydrol. This reaction will need reagent KNa4[Ag(HIO6)2]•12H2O and solvent H2O. The yield is about 100%.
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Uses of 4-Benzoylbiphenyl: it can be used to produce 4-phenyl-thiobenzophenone at temperature of -5 °C. This reaction will need reagent HCl, H2S and solvent ethanol with reaction time of 24 hours.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. 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. Whenever you will contact it, please wear suitable protective clothing. Finally, you must avoid contacting it with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
(2)InChI: InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
(3)InChIKey: LYXOWKPVTCPORE-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | intraperitoneal | > 2gm/kg (2000mg/kg) | Pharmaceutical Chemistry Journal Vol. 19, Pg. 326, 1985. |