CAS No.5273-85-8,5-PROPENYL-1,2,3-TRIMETHOXY Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5273-85-8
Name:	5-PROPENYL-1,2,3-TRIMETHOXY
Article Data:	22

Formula:	C₁₂H₁₆O₃
Molecular Weight:	208.257
Synonyms:	1-[(E)-1-Propenyl]-3,4,5-trimethoxybenzene;1,2,3-Trimethoxy-5-[(E)-1-propenyl]benzene;(E)-isoelemicin,1,2,3-trimethoxy-5-(1E)-1-propenyl-benzene,isoelemicin;
Density:	1.028 g/cm³
Boiling Point:	306.5 °C at 760 mmHg
Flash Point:	102.2 °C
PSA:	27.69000
LogP:	2.74550

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Specification

The Benzene,1,2,3-trimethoxy-5-(1E)-1-propen-1-yl-, with the CAS registry number 5273-85-8, is also known as 1-[(E)-1-Propenyl]-3,4,5-trimethoxybenzene. This chemical's molecular formula is C₁₂H₁₆O₃ and molecular weight is 208.25. What's more, its IUPAC name is 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene.

Physical properties of Benzene,1,2,3-trimethoxy-5-(1E)-1-propen-1-yl- are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.72; (6)ACD/BCF (pH 7.4): 80.72; (7)ACD/KOC (pH 5.5): 806.55; (8)ACD/KOC (pH 7.4): 806.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4 ; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 62.17 cm³; (15)Molar Volume: 202.4 cm³; (16)Polarizability: 24.64×10^-24cm³; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.028 g/cm³; (19)Flash Point: 102.2 °C; (20)Enthalpy of Vaporization: 52.51 kJ/mol; (21)Boiling Point: 306.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0014 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid 1-(3,4,5-trimethoxy-phenyl)-propyl ester at the temperature of 190°C. This reaction will need solvent dimethylsulfoxide with the reaction time of 6 hours. The yield is about 95%.

Benzene,1,2,3-trimethoxy-5-(1E)-1-propen-1-yl- can be prepared by acetic acid 1-(3,4,5-trimethoxy-phenyl)-propyl ester at the temperature of 190°C

Uses of Benzene,1,2,3-trimethoxy-5-(1E)-1-propen-1-yl-: it can be used to produce 3,4,5-Trimethoxycinnamaldehyd at the ambient temperature. It will need reagent DDQ and solvents CH₂Cl₂, H₂O. The yield is about 80%.

Benzene,1,2,3-trimethoxy-5-(1E)-1-propen-1-yl- can be used to produce 3,4,5-Trimethoxycinnamaldehyd at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(cc(OC)c1OC)/C=C/C)C
(2)Std. InChI: InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+
(3)Std. InChIKey: RRXOQHQFJOQLQR-AATRIKPKSA-N