Acetamide, N-(3,4-dimethoxyphenethyl)- (8CI) supplier

Name
N-(3,4-DIMETHOXYPHENETHYL)ACETAMIDE
EINECS
CAS No. 6275-29-2
Article Data46
CAS DataBase
Density 1.067 g/cm³
Solubility
Melting Point 57.5-59 °C
Formula C₁₂H₁₇NO₃
Boiling Point 408.4 °C at 760 mmHg
Molecular Weight 223.272
Flash Point 200.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetamide, N-[2- (3, 4-dimethoxyphenyl)ethyl]-;N-Acetylhomoveratrylamine;N-Acetyl-3, 4-dimethoxyphenethylamine;N-(3, 4-Dimethoxyphenethyl)acetamide;Acetamide, N- (3,4-dimethoxyphenethyl)-;N-[2-(3,4-Dimethoxyphenyl)ethyl]acetamide;Acetamide, N-(2-(3,4-dimethoxyphenyl)ethyl)- (9CI);N-Acetyl-3,4-dimethoxyphenethylamine;
PSA 47.56000
LogP 1.77330

Acetamide, N-(3,4-dimethoxyphenethyl)- (8CI) Specification

The Acetamide, N-(3,4-dimethoxyphenethyl)- (8CI), with the CAS registry number 6275-29-2, is also known as N-(3, 4-Dimethoxyphenethyl)acetamide. This chemical's molecular formula is C₁₂H₁₇NO₃ and molecular weight is 223.27. What's more, its systematic name is N-[2-(3,4-Dimethoxyphenyl)ethyl]acetamide.

Physical properties of Acetamide, N-(3,4-dimethoxyphenethyl)- (8CI) are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.65; (6)ACD/BCF (pH 7.4): 2.65; (7)ACD/KOC (pH 5.5): 69.95; (8)ACD/KOC (pH 7.4): 69.95; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 62.04 cm³; (15)Molar Volume: 209.2 cm³; (16)Polarizability: 24.59×10^-24cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.067 g/cm³; (19)Flash Point: 200.8 °C; (20)Enthalpy of Vaporization: 66.04 kJ/mol; (21)Boiling Point: 408.4 °C at 760 mmHg; (22)Vapour Pressure: 7.05E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by acetyl-[2-(3,4-dimethoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester at the temperature of 50 °C. This reaction will need reagent Mg(ClO₄)₂ and solvent acetonitrile with the reaction time of 48 hours. The yield is about 85%.

Acetamide, N-(3,4-dimethoxyphenethyl)- (8CI) can be prepared by acetyl-[2-(3,4-dimethoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester at the temperature of 50 °C

Uses of Acetamide, N-(3,4-dimethoxyphenethyl)- (8CI): it can be used to produce 6,7-dimethoxy-1-methyl-3,4-dihydro-isoquinoline by heating. It will need reagent phosphoryl chloride and solvent toluene with the reaction time of 2.5 hours. The yield is about 76%.

Acetamide, N-(3,4-dimethoxyphenethyl)- (8CI) can be used to produce 6,7-dimethoxy-1-methyl-3,4-dihydro-isoquinoline by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NCCC1=CC(=C(C=C1)OC)OC
(2)InChI: InChI=1S/C12H17NO3/c1-9(14)13-7-6-10-4-5-11(15-2)12(8-10)16-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
(3)InChIKey: WEQRLEDPPGQGOP-UHFFFAOYSA-N

Product Name

N-(3,4-DIMETHOXYPHENETHYL)ACETAMIDE

Acetamide, N-(3,4-dimethoxyphenethyl)- (8CI) Specification

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