CAS No.487-36-5,(+)-PINORESINOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	487-36-5
Name:	(+)-PINORESINOL
Article Data:	34

Formula:	C₂₀H₂₂O₆
Molecular Weight:	358.391
Synonyms:	4,4'-(1S,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol);
Density:	1.287 g/cm³
Melting Point:	112 °C
Boiling Point:	556.5 °C at 760 mmHg
Flash Point:	290.4 °C
PSA:	77.38000
LogP:	3.19020

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Specification

The Phenol,4,4'-[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-, with the CAS registry number 487-36-5, is also known as 4,4'-(1S,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol). It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C₂₀H₂₂O₆ and molecular weight is 358.3851. What's more, its IUPAC name is 4-[(3S,3aR,6S,6aR)-6-(4-Hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol.

Physical properties about Phenol,4,4'-[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy- are: (1)ACD/LogP: 1.54; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.68; (6)ACD/BCF (pH 7.4): 8.62; (7)ACD/KOC (pH 5.5): 163.5; (8)ACD/KOC (pH 7.4): 162.33; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.38 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 94.94 cm³; (15)Molar Volume: 278.2 cm³; (16)Polarizability: 37.63×10^-24cm³; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.287 g/cm³; (19)Flash Point: 290.4 °C; (20)Enthalpy of Vaporization: 86.94 kJ/mol; (21)Boiling Point: 556.5 °C at 760 mmHg; (22)Vapour Pressure: 5.42E-13 mmHg at 25 °C.

Preparation of Phenol,4,4'-[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-: this chemical can be prepared by 2,6-Bis-(4-benzyloxy-3-methoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane. This reaction needs reagent H₂ and solvent Ethanol. The reaction time is 2 hours. The yield is 60%. And the catalyst is 10% Pd/C.

Phenol,4,4'-[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy- can be prepared by 2,6-Bis-(4-benzyloxy-3-methoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane.

Use of Phenol,4,4'-[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-: it is used to produce (+/-)-Lariciresinol. The reaction occurs with reagent H₂ and catalyst 10% Pd-C for 3 hours. The yield is 42.6%.

Phenol,4,4'-[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy- is used to produce (+/-)-Lariciresinol.

You can still convert the following datas into molecular structure:
(1) SMILES: O4[C@H](c1ccc(O)c(OC)c1)[C@@H]2[C@@H]([C@H](OC2)c3ccc(O)c(OC)c3)C4
(2) InChI: InChI=1/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1
(3) InChIKey: HGXBRUKMWQGOIE-AFHBHXEDBE