-
Name
2,2,2-TRIMETHYLACETANILIDE
- EINECS 229-585-2
- CAS No. 6625-74-7
- Article Data160
- CAS DataBase
- Density 1.029 g/cm3
- Solubility
- Melting Point 130-133 °C
- Formula C11H15NO
- Boiling Point 323.5 °C at 760 mmHg
- Molecular Weight 177.246
- Flash Point 190.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Pivalanilide(6CI,7CI,8CI);N-Phenyltrimethylacetamide;N-Pivaloylaniline;NSC 58513;NSC9043;Pivaloylaminobenzene;
- PSA 29.10000
- LogP 2.74420
N-Pivaloylaniline Specification
The N-Pivaloylaniline, with the CAS registry number 6625-74-7, is also known as Propanamide, 2,2-dimethyl-N-phenyl-. Its EINECS registry number is 229-585-2. This chemical's molecular formula is C11H15NO and molecular weight is 177.2429. Its IUPAC name is called 2,2-dimethyl-N-phenylpropanamide.
Physical properties of N-Pivaloylaniline: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 2.31; (3)ACD/LogD (pH 7.4): 2.31; (4)ACD/BCF (pH 5.5): 33.59; (5)ACD/BCF (pH 7.4): 33.59; (6)ACD/KOC (pH 5.5): 430.56; (7)ACD/KOC (pH 7.4): 430.57; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 54.38 cm3; (13)Molar Volume: 172 cm3; (14)Surface Tension: 37.3 dyne/cm; (15)Density: 1.029 g/cm3; (16)Flash Point: 190.9 °C; (17)Enthalpy of Vaporization: 56.55 kJ/mol; (18)Boiling Point: 323.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000261 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,2-dimethyl-propionyl chloride and aniline. This reaction will need reagent Na2CO3 and solvent H2O, CH2Cl2. The reaction time is 1 hour. The yield is about 96%.
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Uses of N-Pivaloylaniline: it can be used to produce N-neopentyl-aniline at temperature of 65 °C. This reaction will need reagent borane:methyl sulfide and solvent tetrahydrofuran with reaction time of 3 hours. The yield is about 95%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C(=O)NC1=CC=CC=C1
(2)InChI: InChI=1S/C11H15NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
(3)InChIKey: LWJNWXYSLBGWDU-UHFFFAOYSA-N
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