Conditions | Yield |
---|---|
With diisopropyl-carbodiimide In toluene at 120℃; for 24h; Inert atmosphere; Sealed tube; | 100% |
With iodic acid In N,N-dimethyl-formamide at 60℃; for 2h; Reagent/catalyst; Temperature; Inert atmosphere; | 99% |
With nickel(II) triflate; cyclohexanone; 1,2-bis-(dicyclohexylphosphino)ethane In toluene at 110℃; for 12h; Schlenk technique; | 97% |
2-phenyl-2-p-tolyl-[1,3]dithiolane
4-Methylbenzophenone
Conditions | Yield |
---|---|
With trichloroisocyanuric acid; silver nitrate In water; acetonitrile Ambient temperature; | 100% |
With trimethylsilyl iodide; dimethyl sulfoxide In tetrachloromethane at 75 - 80℃; for 6h; | 96% |
With 2,4,6-triphenylpyrilium perchlorate; oxygen In acetonitrile for 1h; Irradiation; | 92% |
2-(4-methylphenyl)-2-phenyl-1,3-dithiane
4-Methylbenzophenone
Conditions | Yield |
---|---|
With antimonypentachloride In dichloromethane at 0℃; for 0.166667h; | 100% |
With 2,4,6-triphenylpyrilium perchlorate; oxygen In acetonitrile for 2.5h; Irradiation; | 95% |
With 2,4,6-triphenylpyrilium perchlorate; oxygen In acetonitrile for 2.5h; Product distribution; Irradiation; diff. reagent; diff. time; further 1,3-dithianes and 1,3-dithiolanes; | 95% |
Stage #1: 2-(4-methylphenyl)-2-phenyl-1,3-dithiane With chloro-trimethyl-silane; sodium iodide In acetonitrile at 60℃; for 48h; Stage #2: With water In acetonitrile for 0.0833333h; | 54% |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine)palladium dichloride In benzene at 85℃; for 3h; | 100% |
Conditions | Yield |
---|---|
With zinc at 71 - 73℃; for 0.00555556h; Friedel-Crafts acylation; microwave irradiation; | 99% |
With copper(II) ferrite In neat (no solvent) at 80℃; for 18h; Friedel-Crafts Acylation; | 98% |
With polystyrene supported aluminium triflate at 20℃; for 1.2h; Friedel-Crafts acylation; Neat (no solvent); regioselective reaction; | 96% |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); water; N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline In N,N-dimethyl-formamide at 60℃; for 15h; Inert atmosphere; | 99% |
With P(p-CH3OC6H4)3; water; dimethyl dicarbonate; palladium diacetate In tetrahydrofuran at 50℃; for 16h; | 87% |
Conditions | Yield |
---|---|
With potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0); 3-(dicyclohexylphosphino)-2-(2,6-dimethoxyphenyl)-1-methyl-1H-indole In 1,4-dioxane at 100℃; for 6h; Suzuki-Miyaura Coupling; Schlenk technique; Sealed tube; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With oxygen at 110℃; for 8h; Schlenk technique; Green chemistry; | 98% |
With oxygen at 110℃; for 8h; Sealed tube; | 97.8% |
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at -78 - 20℃; for 1.83333h; Inert atmosphere; | 87% |
Conditions | Yield |
---|---|
With [Pd(η(5)-C5H5)Fe(η(5)-C5H3-C(CH3)=N-C6H4-4-CH3)Cl(P(C6H5)3)]; potassium carbonate In 1,4-dioxane at 110℃; for 12h; Inert atmosphere; | 98% |
With PEG200; sodium carbonate; palladium diacetate at 60℃; for 2h; Suzuki reaction; | 97% |
With sodium dodecyl-sulfate; potassium carbonate; palladium dichloride In water at 60℃; for 6h; | 88% |
iodobenzene
carbon monoxide
4-methylphenylboronic acid
4-Methylbenzophenone
Conditions | Yield |
---|---|
With (3aS,7aS)-1,3-di-o-tolyl-octahydro-benzoimidazole-2-thione; palladium diacetate In tetrahydrofuran at 50℃; for 10h; Suzuki reaction; | 98% |
With tris-(dibenzylideneacetone)dipalladium(0); potassium carbonate In methoxybenzene at 100℃; under 760.051 Torr; for 20h; Suzuki carbonylative coupling; chemoselective reaction; | 98% |
With palladium diacetate; sodium carbonate In water at 100℃; under 760.051 Torr; for 7h; Suzuki Coupling; Sealed tube; Autoclave; Green chemistry; | 90% |
Conditions | Yield |
---|---|
With [1-(2,4,6-trimethylbenzyl)-3-(isopropyl)]-benzimidazolin-2-ylidene-[(1,2,5,6-η4)-1,5-cyclooctadiene]chlororhodium(I); water In o-xylene at 120℃; for 1h; Reagent/catalyst; Inert atmosphere; Schlenk technique; | 98% |
With 1,3-bis-(diphenylphosphino)propane; water; 1,1'-(1,2-ethanediyl)bisbenzene; chloro(1,5-cyclooctadiene)rhodium(I) dimer In o-xylene at 120℃; |
Conditions | Yield |
---|---|
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate In tetrahydrofuran at 60℃; for 15h; Reagent/catalyst; Temperature; Solvent; Suzuki-Miyaura Coupling; | 98% |
With [Pd(1,3-bis (2,6-di-iso-propylphenyl)imiazol-2-ylidene)(cinnamyl)Cl]; water; potassium carbonate In tetrahydrofuran at 60℃; for 15h; Catalytic behavior; Reagent/catalyst; Temperature; Suzuki-Miyaura Coupling; Inert atmosphere; | 98% |
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate In tetrahydrofuran at 60℃; for 15h; Catalytic behavior; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; | 98% |
4-methylphenylboronic acid
N-(methylsulfonyl)-N-phenylbenzamide
4-Methylbenzophenone
Conditions | Yield |
---|---|
With (bis(tricyclohexyl)phosphine)palladium(II) dichloride; boric acid; potassium carbonate In tetrahydrofuran at 20 - 120℃; for 15h; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; | 98% |
With tris-(dibenzylideneacetone)dipalladium(0); sodium carbonate; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 120℃; for 15h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; chemoselective reaction; | 97% |
4-methylphenylboronic acid
N,N-di(tert-butyloxycarbonyl) benzamide
4-Methylbenzophenone
Conditions | Yield |
---|---|
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); water; potassium carbonate In 2-methyltetrahydrofuran at 23℃; for 15h; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; Green chemistry; chemoselective reaction; | 98% |
With potassium fluoride; (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II) In water; toluene at 23℃; for 15h; Catalytic behavior; Temperature; Reagent/catalyst; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; | 94% |
With boric acid; palladium diacetate; potassium carbonate; triethylamine; tricyclohexylphosphine tetrafluoroborate In tetrahydrofuran at 110℃; for 15h; Suzuki-Miyaura Coupling; | 94% |
N-acetyl-N-phenylbenzamide
4-methylphenylboronic acid
4-Methylbenzophenone
Conditions | Yield |
---|---|
With C18H33P*BF3*FH; boric acid; palladium diacetate; potassium carbonate In toluene at 60℃; for 15h; Catalytic behavior; Reagent/catalyst; Solvent; Suzuki-Miyaura Coupling; chemoselective reaction; | 98% |
Conditions | Yield |
---|---|
With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; potassium carbonate In 1,4-dioxane at 80℃; for 15h; Reagent/catalyst; Temperature; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; | 98% |
With allylchloro[1,3-bis(2,6-di-isopropylphenyl)imidazol-2-ylidine]palladium(II); potassium carbonate In 1,4-dioxane at 110℃; for 15h; Suzuki-Miyaura Coupling; Sealed tube; Inert atmosphere; | 85% |
Conditions | Yield |
---|---|
With boric acid; palladium diacetate; potassium carbonate; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 120℃; for 15h; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With boric acid; palladium diacetate; potassium carbonate; tricyclohexylphosphine tetrafluoroborate In 1,4-dioxane at 120℃; for 15h; Inert atmosphere; | 98% |
N-methoxy-N-methylbenzamide
para-methylphenylmagnesium bromide
4-Methylbenzophenone
Conditions | Yield |
---|---|
In tetrahydrofuran at 0℃; for 0.5h; Temperature; Solvent; Inert atmosphere; Schlenk technique; chemoselective reaction; | 98% |
Conditions | Yield |
---|---|
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate In tetrahydrofuran at 60℃; for 15h; Catalytic behavior; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; | 98% |
Conditions | Yield |
---|---|
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate In tetrahydrofuran at 60℃; for 15h; Catalytic behavior; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; | 98% |
Conditions | Yield |
---|---|
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate In tetrahydrofuran at 60℃; for 15h; Catalytic behavior; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; | 98% |
Conditions | Yield |
---|---|
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate In tetrahydrofuran at 60℃; for 15h; Catalytic behavior; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; | 98% |
Conditions | Yield |
---|---|
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate In tetrahydrofuran at 60℃; for 15h; Catalytic behavior; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; | 98% |
N,N-di(tert-butyloxycarbonyl) benzamide
p-tolylboronic pinacol ester
4-Methylbenzophenone
Conditions | Yield |
---|---|
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate In tetrahydrofuran; water at 23℃; for 16h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Schlenk technique; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,1,2,2-tetrachloroethane at 130℃; for 8h; Autoclave; | 97% |
With 18-crown-6 ether; potassium tert-butylate; oxygen In N,N-dimethyl-formamide at 0 - 20℃; for 3h; Inert atmosphere; | 95% |
With tert.-butylhydroperoxide; C40H48AuN4(1+)*BF4(1-) In pyridine at 90℃; for 18h; | 95% |
(4-methylphenyl)phenylmethanone oxime
4-Methylbenzophenone
Conditions | Yield |
---|---|
With sodium nitrite In water; acetonitrile at 40℃; for 0.416667h; | 97% |
With periodic acid at 20℃; for 0.3h; | 94% |
With Iron(III) nitrate nonahydrate; oxygen In toluene at 37℃; under 760.051 Torr; for 1.5h; Schlenk technique; Green chemistry; | 92% |
With perchloric acid; N-chloro-3-methyl-2,6-diphenylpiperidin-4-one In ethanol; water for 3h; | 72% |
With manganese triacetate In acetic acid at 28℃; Rate constant; |
Conditions | Yield |
---|---|
With triethylamine; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 80℃; for 3h; | 97% |
With tributyl-amine In 1-methyl-pyrrolidin-2-one at 80℃; for 3h; Schlenk technique; Inert atmosphere; | 92% |
With triethylamine; triphenylphosphine; palladium dichloride In 1,4-dioxane at 80℃; for 4h; | 90% |
With palladium 10% on activated carbon; triethylamine; triphenylphosphine In tetrahydrofuran at 80℃; for 3h; Inert atmosphere; | 90% |
para-bromotoluene
phenylglyoxylic acid potassium salt
4-Methylbenzophenone
Conditions | Yield |
---|---|
Stage #1: para-bromotoluene; phenylglyoxylic acid potassium salt With 1,1'-bis-(diphenylphosphino)ferrocene; 1,10-Phenanthroline; palladium(II) hexafluoroacetylacetonate; cyclohexylamine; copper(I) bromide In quinoline at 100℃; for 10h; Inert atmosphere; Molecular sieve; Stage #2: With hydrogenchloride In tetrahydrofuran; quinoline; water at 80℃; for 1h; Inert atmosphere; | 97% |
With quinoline; 1,10-Phenanthroline; tris-(o-tolyl)phosphine; copper(I) bromide In 1-methyl-pyrrolidin-2-one at 170℃; for 16h; | 83% |
With 1,10-Phenanthroline; tris-(o-tolyl)phosphine; copper(I) bromide; palladium(II) hexafluoroacetylacetonate In 1-methyl-pyrrolidin-2-one; quinoline at 170℃; for 16h; Reflux; | 83% |
With copper(I) oxide; palladium(II) acetylacetonate; copper(l) iodide; 1,10-Phenanthroline In 1-methyl-pyrrolidin-2-one; quinoline at 50 - 190℃; for 0.25h; Inert atmosphere; Microwave irradiation; | 83% |
4-Methylbenzophenone
(4-(azidomethyl)phenyl)(phenyl)methanone
Conditions | Yield |
---|---|
With sodium azide In N,N-dimethyl-formamide at 20℃; for 4.5h; | 100% |
Multi-step reaction with 2 steps 1: N-Bromosuccinimide / tetrachloromethane / 3 h / Inert atmosphere; Reflux; IR irradiation 2: sodium azide / water; acetone / 1 h / Cooling with ice View Scheme | |
Multi-step reaction with 2 steps 1: dibenzoyl peroxide; N-Bromosuccinimide / tetrachloromethane / 24 h / 85 °C 2: sodium azide / acetone; water / 3 h / 60 °C View Scheme | |
Multi-step reaction with 2 steps 1: dibenzoyl peroxide; N-Bromosuccinimide / tetrachloromethane / 24 h / 85 °C 2: sodium azide / acetone; water / 3 h / 60 °C View Scheme |
4-Methylbenzophenone
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
2-(1-(4-methylphenyl)-1-phenylmethoxy)pinacolborane
Conditions | Yield |
---|---|
With C37H76N6Si6Th In benzene-d6 at 25℃; for 0.166667h; Catalytic behavior; Glovebox; Sealed tube; Schlenk technique; chemoselective reaction; | 100% |
With titanocene bis(catecholborane) In toluene; pentane at 20℃; for 2h; Inert atmosphere; Schlenk technique; Glovebox; | 69% |
With tris[N,N-bis(trimethylsilyl)amide]lanthanum(III) In benzene-d6 at 25℃; for 0.25h; | > 99 %Spectr. |
With C48H57HfN3 In benzene-d6 at 25℃; for 0.25h; Reagent/catalyst; Glovebox; | 99 %Spectr. |
Conditions | Yield |
---|---|
Stage #1: 4-Methylbenzophenone With (R)-((4,4’-bi-1,3-benzodioxole)-5,5’-diyl)bis(bis(3,5-di-t-butyl-4-methoxyphenyl))phosphine; polymethylhydrosiloxane; copper(l) chloride; sodium t-butanolate In toluene at 0℃; for 0.5h; Inert atmosphere; Stage #2: With sodium hydroxide; water In ethyl acetate; toluene for 1h; Inert atmosphere; | 99% |
With C33H39Cl2IrOP2; isopropyl alcohol; sodium t-butanolate at 82℃; for 0.5h; air; | 98% |
With ethanol; (ethylenebis(bicyclohexylphosphane))Ni(cis,cis-1,5-cyclooctadiene) In neat (no solvent) at 130℃; for 36h; Catalytic behavior; | 98% |
Conditions | Yield |
---|---|
With KNdF4 for 0.0666667h; Irradiation; | 99% |
With zinc(II) iodide In dichloromethane at 50℃; for 12h; | 76% |
With lithium perchlorate In diethyl ether at 20℃; for 8h; | 61% |
1.3-propanedithiol
4-Methylbenzophenone
2-(4-methylphenyl)-2-phenyl-1,3-dithiane
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In dichloromethane at 20℃; Inert atmosphere; | 99% |
With P-benzyltriphenylphosphonium tribromide at 20℃; for 1.3h; | 93% |
With boron trifluoride diethyl etherate; sodium sulfate In chloroform at 0 - 20℃; Inert atmosphere; | |
With boron trifluoride diethyl etherate In dichloromethane at 20℃; |
4-Methylbenzophenone
trimethylsulphonium iodide
2-(4-methylphenyl)-2-phenyloxirane
Conditions | Yield |
---|---|
With potassium hydroxide In tert-butyl alcohol at 40 - 50℃; for 12h; Corey-Chaykovsky epoxidation; | 99% |
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol at 20℃; for 48h; | 98% |
With palladium 10% on activated carbon; water; hydrazine hydrate In ethanol at 100℃; for 24h; Reagent/catalyst; | 97% |
With palladium on carbon; hydrogen In methanol at 20℃; for 16h; | 95% |
4-Methylbenzophenone
ethane-1,2-dithiol
2-phenyl-2-p-tolyl-[1,3]dithiolane
Conditions | Yield |
---|---|
With silica gel; toluene-4-sulfonic acid In dichloromethane for 72h; Heating; | 98% |
With P-benzyltriphenylphosphonium tribromide at 20℃; for 1.3h; | 93% |
With P-benzyltriphenylphosphonium tribromide In dichloromethane at 20℃; for 15h; | 90% |
Nafion-H In benzene Heating; | 85% |
4-Methylbenzophenone
ethyl acetoacetate
malononitrile
6-amino-2,4-dihydro-3-methyl-4-phenyl-4-p-tolylpyrano[2,3-c]pyrazole-5-carbonitrile
Conditions | Yield |
---|---|
With hydrazine hydrate; heptakis(6-amino-6-deoxy)-β-cyclodextrin at 20℃; for 0.0166667h; Neat (no solvent); | 98% |
The 4-Methyl benzophenone, with its CAS registry number 134-84-9, has the IUPAC name of (4-methylphenyl)-phenylmethanone. For being a kind of white to beige crystalline powder or crystals, its product categories are including Aromatic Benzophenones & Derivatives (substituted); Benzophenone; Organic Photoinitiators; Polymerization Initiators. As to its usage, it can be used as UV absorber and pharmaceutical intermediates.
The physical properties of this chemical are as below: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 343.92; (6)ACD/BCF (pH 7.4): 343.92; (7)ACD/KOC (pH 5.5): 2276.15; (8)ACD/KOC (pH 7.4): 2276.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 ; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 60.87 cm3; (15)Molar Volume: 183.8 cm3; (16)Polarizability: 24.13×10-24 cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.067 g/cm3; (19)Flash Point: 141 °C; (20)Enthalpy of Vaporization: 57.05 kJ/mol; (21)Boiling Point: 328.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000194 mmHg at 25°C; (23)Exact Mass: 196.088815; (24)MonoIsotopic Mass: 196.088815; (25)Topological Polar Surface Area: 17.1; (26)Heavy Atom Count: 15; (27)Complexity: 207.
Use of this chemical: 4-Methyl benzophenone could react to produce 1-benzyl-4-methyl-benzene. This reaction could happen in the presence of the reagent of zinc dust.
Production method of this chemical: phenyl-p-tolyl-methanethione could react to produce 4-Methyl benzophenone. This reaction could happen in the presence of the reagent of clayfen, and it needs the reaction time of 90 s in the condition of microwave irradiation.
When you are dealing with this chemical, you should be very careful. For being a kind of irritant which may cause inflammation to the skin or other mucous membranes, it is irritating to eyes, respiratory system and skin and it will be dangerous to our body if swallowed. Therefore, you should wear suitable protective clothing and avoid contacting with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
(3)InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 250mg/kg (250mg/kg) | National Technical Information Service. Vol. AD277-689, |
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