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| CAS No.: | 2719-08-6 |
|---|---|
| Name: | METHYL 2-ACETAMIDOBENZOATE |
| Article Data: | 35 |
| Molecular Structure: | |
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| Formula: | C10H11NO3 |
| Molecular Weight: | 193.202 |
| Synonyms: | Anthranilicacid, N-acetyl-, methyl ester (6CI,8CI);Methyl 2-(acetylamino)benzoate;Methyl N-acetoanthranilate;Methyl N-acetylanthranilate;N-(2-(Methoxycarbonyl)phenyl) acetamide;NSC 45919;o-(Methoxycarbonyl)acetanilide;o-Acetamidobenzoic acid methyl ester; |
| EINECS: | 220-318-5 |
| Density: | 1.204 g/cm3 |
| Melting Point: | 97-101 °C |
| Boiling Point: | 376.3 °C at 760 mmHg |
| Flash Point: | 181.4 °C |
| Appearance: | white to off-white crystalline powder |
| Safety: | 24/25 |
| PSA: | 55.40000 |
| LogP: | 1.50460 |
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Specification
The Benzoic acid, 2-(acetylamino)-, methyl ester, with the CAS registry number 2719-08-6, is also known as Methyl N-acetylanthranilate. It belongs to the product categories of Acids & Esters; Anilines, Amides & Amines. And its EINECS registry number is 220-318-5. This chemical's molecular formula is C10H11NO3 and molecular weight is 193.20. What's more, its IUPAC name is Methyl 2-acetamidobenzoate. During using it, you should avoid contacting with skin and eyes. Besides, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about Benzoic acid, 2-(acetylamino)-, methyl ester are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.57; (6)ACD/BCF (pH 7.4): 10.57; (7)ACD/KOC (pH 5.5): 188.23; (8)ACD/KOC (pH 7.4): 188.23; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 52.29 cm3; (15)Molar Volume: 160.4 cm3; (16)Polarizability: 20.73×10-24 cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.204 g/cm3; (19)Flash Point: 181.4 °C; (20)Enthalpy of Vaporization: 62.4 kJ/mol; (21)Boiling Point: 376.3 °C at 760 mmHg; (22)Vapour Pressure: 7.3E-06 mmHg at 25 °C.
Preparation of Benzoic acid, 2-(acetylamino)-, methyl ester: this chemical is prepared by reaction of 2-Methyl-benzo[d][1, 3]oxazin-4-one with Methanol at ambient temperature. The reaction needs reagent 1, 4-Diazabicyclo<2.2.2>octane (Dabco). The reaction time is 1 hour. The yield is about 100 %.
![The Benzoic acid, 2-(acetylamino)-, methyl ester can be obtained by 2-Methyl-benzo[d][1, 3]oxazin-4-one and Methanol.](/UserFilesUpload/Preparation of Benzoic acid, 2-(acetylamino)-, methyl ester.jpg)
Uses of Benzoic acid, 2-(acetylamino)-, methyl ester: it is used to produce other chemicals. For example, it is used to produce 2, 2'-(Acetylimino)bisbenzoesaeure-dimethylester by heating. This reaction needs reagents K2CO3, Cu and Cu2I2. Meanwhile, it needs solvent Dibutyl ether. The reaction time is 10 hours. The yield is about 39 %.
-, methyl ester.jpg)
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccccc1C(=O)OC)C
(2) InChI: InChI=1/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
(3) InChIKey: UYQKZKVNYKOXHG-UHFFFAOYAM