Conditions | Yield |
---|---|
With water; nitrile hydratase from Rhodococcus rhodochrous J1 at 25℃; for 24h; K2HPO4-KH2PO4 puffer pH=8.0; | 100% |
With manganese(IV) oxide; silica gel In 2,2,4-trimethylpentane for 2h; Heating; | 100% |
With sodium hydroxide; trisodium tris(3-sulfophenyl)phosphine; water; chloro(1,5-cyclooctadiene)rhodium(I) dimer In ethyl acetate at 90℃; for 24h; pH=11.7; hydration; | 100% |
2,2,2-trichloro-1-(4-chlorophenyl)ethanone
benzamide
Conditions | Yield |
---|---|
With ammonia In hexane for 0.5h; Ambient temperature; | 100% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; nickel dichloride In methanol at 0 - 10℃; for 0.166667h; Product distribution; other aroyl azides; with ultrasonication; | 100% |
With xanth-9-one In isopropyl alcohol Photolysis; | 100% |
With tetracarbonylhydridoferrate In ethanol at -40℃; for 12h; | 98% |
N,N'-dibenzoylsulfur diimide
dimedone
A
benzamide
B
8,8-Dimethyl-3-phenyl-4-oxa-1-thia-2-aza-spiro[4.5]dec-2-ene-6,10-dione
Conditions | Yield |
---|---|
In benzene at 20℃; for 2.5h; | A n/a B 100% |
A
p-chlorobenzene(N-benzoyl)iminosulfinyl chloride
B
benzamide
Conditions | Yield |
---|---|
In benzene for 0.125h; Heating; | A 100% B 100% |
N-(4-methoxybenzyl)benzamide
benzamide
Conditions | Yield |
---|---|
With copper(II) tris(triflyl)methide; methoxybenzene at 154℃; for 4.5h; debenzylation; | 100% |
With dipotassium peroxodisulfate; tris(bipyridine)ruthenium(II) dichloride hexahydrate; water In acetonitrile at 20℃; for 12h; Sealed tube; Irradiation; Green chemistry; | 87% |
Conditions | Yield |
---|---|
With ammonium hydroxide In tetrahydrofuran; ethanol at 20℃; for 4h; | 100% |
Conditions | Yield |
---|---|
With hydroxylamine; copper diacetate In water at 110℃; for 48h; | 99% |
With hydroxylamine; C33H28F3N5O3Ru(1+)*Cl(1-) In water at 60℃; for 0.5h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Sonication; | 99% |
Stage #1: benzaldehyde With ammonia; iodine In tetrahydrofuran; water at 20℃; for 1h; Stage #2: With dihydrogen peroxide In tetrahydrofuran; water at 20℃; for 2.5h; Further stages.; | 98% |
Conditions | Yield |
---|---|
With triethylamine; aniline In dichloromethane | 99% |
With titanium-nitrogen; potassium carbonate In benzene at 20℃; | 96% |
90% |
Conditions | Yield |
---|---|
With copper diacetate In 1,4-dioxane at 110℃; for 72h; | 99% |
With C55H45ClN5P2Ru(1+)*Cl(1-) In water at 110℃; for 12h; Reagent/catalyst; Temperature; Solvent; Sealed tube; | 97% |
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 In toluene at 130℃; for 3h; Green chemistry; | 96% |
Conditions | Yield |
---|---|
With ammonium formate; poly(styrene)-poly(ethylene glycol); palladium In water; isopropyl alcohol at 25℃; for 2h; | 99% |
With ammonium formate; amphiphilic resin-dispersion of palladium nanoparticles In water; isopropyl alcohol at 25℃; for 2h; | 99% |
With ammonium formate In water; isopropyl alcohol at 20℃; for 3h; | 99% |
Conditions | Yield |
---|---|
Stage #1: iodomethylbenzene With ammonia; iodine In water at 60℃; for 4h; Stage #2: With ammonia; dihydrogen peroxide In water at 0 - 20℃; | 99% |
Conditions | Yield |
---|---|
With sodium phosphate In water; dimethyl sulfoxide at 100℃; for 5.5h; Catalytic behavior; Solvent; Reagent/catalyst; Temperature; | 99% |
Conditions | Yield |
---|---|
With manganese(IV) oxide In dichloromethane at 40℃; under 760.051 Torr; for 24h; Molecular sieve; | 98% |
With potassium carbonate; dimethyl sulfoxide at 110℃; for 5h; | 98% |
With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); potassium tert-butylate In tert-butyl alcohol at 70℃; for 12h; Catalytic behavior; Solvent; Reagent/catalyst; | 97% |
Conditions | Yield |
---|---|
In 1-methyl-pyrrolidin-2-one; water | 98% |
Conditions | Yield |
---|---|
Stage #1: benzyl bromide With ammonia; iodine In water at 60℃; for 4h; Stage #2: With ammonia; dihydrogen peroxide In water at 0 - 20℃; | 98% |
2,4,6-trichlorophenyl benzoate
benzamide
Conditions | Yield |
---|---|
With dmap; ammonia; triethylamine In tetrahydrofuran at 45℃; for 13h; Inert atmosphere; | 98% |
4-Dimethylamino-2-phenyl-1-oxa-3-azabuta-1,3-diene
benzamide
Conditions | Yield |
---|---|
With hydrogenchloride In 1,4-dioxane Reagent/catalyst; Solvent; Reflux; | 98% |
Conditions | Yield |
---|---|
With ammonium hydroxide; iodine In acetonitrile at 20℃; for 12h; | 98% |
With ammonium hydroxide; iodine In water; acetonitrile at 20℃; for 12h; Sealed tube; | |
With ammonium hydroxide; iodine at 20℃; for 1h; Reagent/catalyst; | 50.3 mg |
Conditions | Yield |
---|---|
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; cesium acetate; isopropyl alcohol at 100℃; Schlenk technique; Inert atmosphere; | 98% |
With [RhCl2(p-cymene)]2; cesium acetate In isopropyl alcohol at 20 - 100℃; for 20h; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
Stage #1: benzoic acid With niobium pentachloride In dichloromethane Stage #2: With ammonia In dichloromethane at 45 - 50℃; for 0.5h; | 97% |
With tetrabutylammomium bromide; ammonia; caesium carbonate In water for 0.333333h; Microwave irradiation; | 97% |
With ammonium hydroxide; tetrabutylammomium bromide; caesium carbonate In water at 20℃; for 0.5h; Electrochemical reaction; chemoselective reaction; | 96% |
Conditions | Yield |
---|---|
With ammonia; oxygen In water at 150℃; under 22502.3 Torr; for 3h; | 97% |
Stage #1: benzyl alcohol With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; ammonia; oxygen; copper(II) nitrate In water; dimethyl sulfoxide at 80℃; under 760.051 Torr; for 5h; Stage #2: With Acetaldehyde oxime In water; dimethyl sulfoxide at 110℃; for 24h; Inert atmosphere; | 94% |
With tert.-butylhydroperoxide; ammonia; oxygen In water; N,N-dimethyl-formamide at 80℃; under 1520.1 Torr; for 5h; Temperature; Reagent/catalyst; Green chemistry; | 94% |
Conditions | Yield |
---|---|
With copper diacetate; palladium diacetate In water at 120℃; for 1h; Reagent/catalyst; Schlenk technique; Green chemistry; | A 55% B 97% |
Conditions | Yield |
---|---|
With copper diacetate; palladium diacetate In water at 120℃; for 1h; Reagent/catalyst; Solvent; Schlenk technique; Green chemistry; | A 97% B 58% |
With cesium acetate; copper diacetate; manganese(II) acetate In tert-Amyl alcohol at 120℃; for 1h; Reagent/catalyst; Solvent; Schlenk technique; Green chemistry; | A 32% B 34% |
Conditions | Yield |
---|---|
With copper diacetate; palladium diacetate In water at 120℃; for 1h; Reagent/catalyst; Schlenk technique; Green chemistry; | A 57% B 97% |
benzamide
Conditions | Yield |
---|---|
With sodium at 140℃; for 5h; Autoclave; | 96.5% |
N-(tert-butyloxycarbonyl)benzamide
benzamide
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane for 1h; Ambient temperature; | 96% |
With silica gel In dichloromethane for 0.0166667h; Irradiation; | 96% |
Conditions | Yield |
---|---|
With tetraethylammonium perchlorate In acetonitrile preparative electrolyse, - 1.4 V; | A 96% B 69% C 26% |
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane; N-methoxylamine hydrochloride; sodium iodide; palladium dichloride In acetonitrile at 90℃; under 3800.26 Torr; for 8h; Reagent/catalyst; Solvent; Autoclave; Inert atmosphere; | 96% |
With ammonium hydroxide; 1,3,5,7-tetramethyl-2,4,8-trioxa-6-phenyl-6-phosphaadamantane; palladium diacetate In toluene at 130℃; under 5171.62 Torr; Temperature; Autoclave; | 93% |
With 1,4-diaza-bicyclo[2.2.2]octane; palladium 10% on activated carbon; ammonium carbamate; potassium iodide In acetonitrile at 90℃; for 8h; Autoclave; Green chemistry; | 85% |
Conditions | Yield |
---|---|
With [bis(acetoxy)iodo]benzene for 0.5h; Ambient temperature; | 100% |
With dibromamine-T; 1,8-diazabicyclo[5.4.0]undec-7-ene for 0.166667h; Hofmann rearrangement; Reflux; | 85% |
With tetra-N-butylammonium tribromide; 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 1.5h; Ambient temperature; | 69% |
With N-Bromosuccinimide; 1,8-diazabicyclo[5.4.0]undec-7-ene at 120℃; Hofmann rearrangement; Microfluidic flow; | 32% |
With bromine; sodium ethanolate |
Conditions | Yield |
---|---|
With phosphorus pentoxide In methanol at 20℃; for 1h; | 100% |
With oxalyl dichloride; triethylamine; Triphenylphosphine oxide In acetonitrile at 20℃; for 0.166667h; Solvent; | 98% |
With trimethylsilylphosphate for 0.666667h; Heating; | 97% |
Conditions | Yield |
---|---|
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; silver(I) acetate In N,N-dimethyl-formamide for 12h; Ambient temperature; | 100% |
With [bis(acetoxy)iodo]benzene | 100% |
With potassium hydroxide; [bis(acetoxy)iodo]benzene Mechanism; other alkyl- and aryl carboxamides; | 97% |
benzamide
chloro(tert-butyl)diethylamino(methylene)phosphorane
A
benzonitrile
Conditions | Yield |
---|---|
In diethyl ether -10 dec C, then +20 deg C.; | A 70% B 100% C 85% |
Conditions | Yield |
---|---|
With sodium hypochlorite; sodium hydroxide In 1,4-dioxane; water at 80℃; for 0.25h; Hofmann degradation; | 100% |
With sodium hydroxide; benzyltrimethylazanium tribroman-2-uide In water for 2h; Ambient temperature; | 72% |
With water; bromine; sodium hydroxide Hofmann Rearrangement; Cooling with ice; |
Conditions | Yield |
---|---|
In water; acetone for 19h; Heating / reflux; | 100% |
In acetone Heating; | |
In acetone for 19h; Reflux; |
Conditions | Yield |
---|---|
Stage #1: C12H9BrN4O2; benzamide With potassium hydroxide In water; dimethyl sulfoxide at 20℃; for 0.75h; Stage #2: With acetic acid pH=5; | 100% |
Conditions | Yield |
---|---|
at 130 - 180℃; for 3h; Betti Reaction; | 100% |
Conditions | Yield |
---|---|
With iron(III) chloride hexahydrate In nitromethane at 80℃; for 24h; | 100% |
benzamide
Conditions | Yield |
---|---|
With water-d2; isopropyl alcohol at 120℃; for 0.0166667h; Flow reactor; | 100% |
With 10 % iridium on carbon; water-d2 In isopropyl alcohol at 20℃; for 24h; Reagent/catalyst; Sealed tube; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With C33H37N4P; potassium carbonate; bis(dibenzylideneacetone)-palladium(0) In tert-butyl alcohol at 95℃; for 3h; Inert atmosphere; Sonication; | 99.7% |
With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; potassium carbonate In 1,4-dioxane at 90℃; for 18h; Buchwald-Hartwig Coupling; Inert atmosphere; Glovebox; | 75% |
Stage #1: benzamide; 4-chlorobenzotrifluoride With copper(l) iodide; potassium carbonate; trans-N,N'-dimethylcyclohexane-1,2-diamine In acetonitrile for 0.00277778h; Inert atmosphere; Glovebox; Stage #2: In acetonitrile at 200℃; for 1h; Microwave irradiation; | 65% |
With C33H37N4P; potassium carbonate; bis(dibenzylideneacetone)-palladium(0) In tert-butyl alcohol at 95℃; for 3h; Inert atmosphere; Sonication; |
Conditions | Yield |
---|---|
With palladium diacetate; potassium carbonate In toluene at 150℃; for 24h; | 99% |
With C23H24ClIrN3OS(1+)*F6P(1-); caesium carbonate In toluene at 120℃; | 98% |
With potassium carbonate at 160℃; for 12h; | 96% |
Conditions | Yield |
---|---|
With aluminum oxide In water for 0.2h; Condensation; microwave irradiation; | 99% |
With 1-octyl-3-methylimidazolium tetrafluoroborate at 80℃; for 3h; Mannich Aminomethylation; | 90% |
Conditions | Yield |
---|---|
With aluminum oxide; potassium fluoride; copper(l) iodide; 1,10-Phenanthroline In toluene at 110℃; for 1.5h; | 99% |
With potassium phosphate; copper(l) iodide; L-arginine In 1,4-dioxane at 100℃; for 24h; Goldberg reaction; | 99% |
With potassium phosphate In toluene at 110℃; for 10h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; | 98% |
ethyl-3,3,3-trifluoropyruvate
benzamide
Ethyl 2-benzoylamino-2-hydroxy-3,3,3-trifluoropropionate
Conditions | Yield |
---|---|
In dichloromethane for 2h; Ambient temperature; | 99% |
Conditions | Yield |
---|---|
With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; potassium carbonate In 1,4-dioxane at 90℃; for 18h; Buchwald-Hartwig Coupling; Inert atmosphere; Glovebox; | 99% |
With (55)Pd068(44)Ni032; potassium carbonate In water at 80℃; for 8h; Catalytic behavior; Buchwald-Hartwig Coupling; | 96% |
With copper at 240℃; for 12h; Product distribution; further reagents, reaction temperatures; | 94% |
Conditions | Yield |
---|---|
With samarium diiodide; phosphoric acid In tetrahydrofuran for 0.000833333h; Ambient temperature; | 99% |
With phenylacetic acid; dipotassium peroxodisulfate In water at 80℃; Sealed tube; | 20% |
Multi-step reaction with 3 steps 1: neat (no solvent) / Heating 2: hydrogenchloride; water / acetone / 30 °C / pH Ca. 4.2 3: water; potassium hydroxide / aq. buffer / 25 °C / pH 11.24 View Scheme |
Conditions | Yield |
---|---|
With sulfuric acid for 0.166667h; Product distribution; comparison of the hydrolysis in sealed Teflon vessel in a microwave oven with classical procedure; | 99% |
With water; hydrogen cation for 0.166667h; in sealed Teflon vessels heated by a microwave oven; | 99% |
With phthalic anhydride at 240 - 250℃; under 3040 Torr; for 0.5h; Hydrolysis; | 99% |
Reported in EPA TSCA Inventory. Community Right-To-Know List. Human mutation data reported.
The IUPAC name of this chemical is benzamide. With the CAS registry number 55-21-0, it is also named as Amid kyseliny benzoove. The product's categories are pharmaceutical intermediates; aromatic carboxylic acids, amides, anilides, anhydrides & salts; highly purified reagents; zone refined products. It is off-white crystals or powder which is a derivative of benzoic acid. 1g product dissolved in 3.3ml pyridine, 6ml ethanol, 74ml cold water. More is soluble in boiling water, soluble in hot benzene, and slightly soluble in ether. In addition, it reacts with azo and diazo compounds to generate toxic gases. When mixing with dehydrating agents such as P2O5 or SOCl2, it generates the corresponding nitrile. Besides, Benzamide must sealed in the container.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.751; (4)ACD/LogD (pH 7.4): 0.751; (5)ACD/BCF (pH 5.5): 2.192; (6)ACD/BCF (pH 7.4): 2.192; (7)ACD/KOC (pH 5.5): 61.03; (8)ACD/KOC (pH 7.4): 61.03; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.564; (13)Molar Volume: 108.135 cm3; (14)Polarizability: 13.948×10-24 cm3; (15)Surface Tension: 46.061 dyne/cm; (16)Enthalpy of Vaporization: 52.721 kJ/mol; (17)Vapour Pressure: 0.002 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Tautomer Count: 2; (20)Exact Mass: 121.052764; (21)MonoIsotopic Mass: 121.052764; (22)Topological Polar Surface Area: 43.1; (23)Heavy Atom Count: 9.
Preparation of Benzamide: It is obtained by the reaction of benzoyl chloride and ammonia. First, adding ammonium carbonate and the ammonia which the relative density is below 0.905 into glass-lined reacter, and stirring, adding Benzoyl chloride dropwise below 40 °C. After finished, keep stirring 30min until there is no Benzoyl chlorine smell. The crude product is filtered, washed and distilled with water to get recrystallization.
Uses of Benzamide: It is used in the determination of glycine. And it is also used as intermediates in organic synthesis. In addition, this chemical is used in the production of pharmaceuticals and dyes.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed, so people should not breathe dust and avoid contact with skin and eyes. It is hazardous, so the first aid measures and others should be known. When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid.
People can use the following data to convert to the molecule structure.
1. SMILES:c1ccc(cc1)C(=O)N
2. InChI:InChI=1/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
3. InChIKey:KXDAEFPNCMNJSK-UHFFFAOYAA
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LD50 | unreported | 1gm/kg (1000mg/kg) | Pharmaceutical Chemistry Journal Vol. 28, Pg. 335, 1994. | |
mouse | LD50 | intraperitoneal | 1282mg/kg (1282mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990. |
mouse | LD50 | oral | 1160mg/kg (1160mg/kg) | Toxicology and Applied Pharmacology. Vol. 19, Pg. 20, 1971. | |
rat | LD50 | intraperitoneal | 781mg/kg (781mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990. |
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