- 2-Methylbenzamide
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Cas Database |
| Name |
2-Methylbenzamide |
EINECS | 208-427-6 |
| CAS No. | 527-85-5 | Density | 1.086 g/cm3 |
| PSA | 43.09000 | LogP | 1.79420 |
| Solubility | insoluble in water | Melting Point |
141-142 °C |
| Formula | C8H9NO | Boiling Point | 254.3 °C at 760 mmHg |
| Molecular Weight | 135.166 | Flash Point | 107.6 °C |
| Transport Information | N/A | Appearance | white powder |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
Methyl-benzamide;o-Tolylformamide; |
Article Data | 154 |
2-Methylbenzamide Synthetic route
| Conditions | Yield |
|---|---|
| With C18H57O3P6Ru2(1+)*C6H5O(1-)*C6H6O; water In 1,4-dioxane for 24h; Time; Sealed tube; Inert atmosphere; Schlenk technique; | 99% |
| With sodium hydroxide; dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane for 1.6h; Ambient temperature; | 97% |
| With water; sodium carbonate; tricyclohexylphosphine; {Rh(OMe)(cod)}2 In isopropyl alcohol at 25℃; for 24h; | 96% |
- 20045-96-9
o-methylbenzoyl bromide
- 527-85-5
o-Methylbenzamid
| Conditions | Yield |
|---|---|
| Stage #1: o-methylbenzoyl bromide With aluminum isopropoxide; dimethyl amine In Cyclooctan at 36℃; for 3h; Stage #2: With potassium sulfate; zinc 2-ethylhexanoate at 47℃; for 3.16667h; Temperature; | 98.8% |
| Conditions | Yield |
|---|---|
| Stage #1: ortho-methylbenzoic acid With 1,3,5-trichloro-2,4,6-triazine; potassium carbonate In tetrahydrofuran for 0.0166667h; Milling; Stage #2: With ammonium thiocyanate In tetrahydrofuran for 0.0833333h; Milling; | 98% |
| With ammonium hydroxide In ethyl acetate at 40℃; for 16h; Solvent; Temperature; Reagent/catalyst; Large scale; Green chemistry; | 97.7% |
| Multi-step reaction with 2 steps 1: phosphorus pentachloride / 120 °C View Scheme |
- 14683-79-5
salicylaldoxime
- 527-85-5
o-Methylbenzamid
| Conditions | Yield |
|---|---|
| With C55H45ClN5P2Ru(1+)*Cl(1-) In water at 110℃; for 12h; Sealed tube; | 98% |
| With [PdCl2{κ2-(P,N)-2-Ph2PC6H4CH=NOH}] In water at 100℃; for 24h; Inert atmosphere; Sealed tube; | 90% |
| With [RuCl2(η2-C6H6){P(NMe2)3}]; water at 100℃; for 7h; Inert atmosphere; Sealed tube; | 87% |
| With cis,cis,trans-[RuCl2{κ2-(P,N)-2-Ph2PC6H4CH=NOH}2] In water at 100℃; for 12h; Sealed tube; Inert atmosphere; | 82% |
| With zinc(II) chloride In n-heptane for 18h; Reflux; |
| Conditions | Yield |
|---|---|
| With [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; silver trifluoroacetate; phenylhydrazine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In N,N-dimethyl-formamide at 70℃; for 12h; Reagent/catalyst; Solvent; | 96.6% |
| With tert.-butylhydroperoxide; ammonia; oxygen In water; N,N-dimethyl-formamide at 80℃; under 1520.1 Torr; for 5h; Green chemistry; | 89% |
| With tert.-butylhydroperoxide; ammonium hydroxide In water at 100℃; for 16h; | 87% |
| With tert.-butylhydroperoxide; tetraethylammonium iodide; ammonium bicarbonate In 1,2-dichloro-ethane at 70℃; for 22h; | 69% |
| Conditions | Yield |
|---|---|
| With hydroxylamine; C33H28F3N5O3Ru(1+)*Cl(1-) In water at 60℃; for 0.5h; Catalytic behavior; Sonication; | 96% |
| With C17H17BrClN2RuSe(1+)*F6P(1-); hydroxylamine hydrochloride; sodium hydroxide In toluene at 100℃; for 12h; Reagent/catalyst; Solvent; Temperature; | 94% |
| With tert.-butylhydroperoxide; titanium superoxide; saccharin In 1,4-dioxane; hexane at 90℃; for 1h; Green chemistry; | 91% |
| Conditions | Yield |
|---|---|
| With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); potassium tert-butylate In tert-butyl alcohol at 70℃; for 12h; | 95% |
| With tetra(n-butyl)ammonium hydroxide In water at 70℃; for 12h; Green chemistry; | 89% |
| With potassium tert-butylate; C36H24N2O12Ru3 In tert-butyl alcohol for 10h; Reflux; | 83% |
- 933-88-0
ortho-toluoyl chloride
- 58-61-7
adenosine
A
- 628-13-7
pyridine hydrochloride
B
- 104579-36-4
N6,2',3',5'-tetra-O-toluoyladenosine
C
- 527-85-5
o-Methylbenzamid
| Conditions | Yield |
|---|---|
| With methanol; ammonia In pyridine at 0℃; | A n/a B 93% C n/a |
| 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; Autoclave; Inert atmosphere; | 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; | 88% |
| With dichloro bis(acetonitrile) palladium(II); ammonium bicarbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In acetonitrile at 120℃; under 7500.75 Torr; for 3h; Autoclave; | > 99 %Chromat. |
| Conditions | Yield |
|---|---|
| With palladium diacetate; ammonium bicarbonate; dicyclohexyl-carbodiimide; triphenylphosphine In acetonitrile at 100℃; Inert atmosphere; | 93% |
2-Methylbenzamide Specification
The Benzamide, 2-methyl-, with the CAS registry number 527-85-5, is also known as Methyl-benzamide and o-Tolylformamide. It belongs to the product categories of AMIDE; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS registry number is 208-427-6. This chemical's molecular formula is C8H9NO and molecular weight is 135.1632. What's more, both its IUPAC name and systematic name are the same which is called 2-Methylbenzamide. Its appearance is white powder. It is insoluble in water.
Physical properties about this chemical are: (1)ACD/LogP: 1.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.81; (6)ACD/BCF (pH 7.4): 4.81; (7)ACD/KOC (pH 5.5): 107.19; (8)ACD/KOC (pH 7.4): 107.19; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 40 cm3; (15)Molar Volume: 124.4 cm3; (16)Surface Tension: 43.4 dyne/cm; (17)Density: 1.086 g/cm3; (18)Flash Point: 107.6 °C; (19)Enthalpy of Vaporization: 49.17 kJ/mol; (20)Boiling Point: 254.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0174 mmHg at 25 °C; (22)Melting Point: 141-142 °C.
Preparation of Benzamide, 2-methyl-: this chemical can be prepared by 2-Methyl-benzonitrile.
This reaction needs reagents Oxone, Acetone and solvent H2O at temperature of 5-20 °C. The reaction time is 10 hours. The yield is 80%.
Uses of Benzamide, 2-methyl-: it is used to produce other chemicals. For example, it is used to produce 2-Methyl-benzyl alcohol.
The reaction occurs with reagents SmI2, H2O and solvent Tetrahydrofuran. The reaction time is 10 s. The yield is 96%.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1C)N
(2) InChI: InChI=1/C8H9NO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10)
(3) InChIKey: XXUNIGZDNWWYED-UHFFFAOYAM
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