Chemical Properties of (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one (CAS 58311-20-9)

(3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one

InChI
InChI=1S/C21H22O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3/t15-,16+/m1/s1
InChI Key
LEVKKQBBEVGIKN-CVEARBPZSA-N
Formula
C21H22O6
SMILES
COc1ccc(CC2COC(=O)C2Cc2ccc3c(c2)OCO3)cc1OC
Molecular Weight1
370.40
CAS
58311-20-9
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Physical Properties

Property Value Unit Source
ΔfusH° 55.65 kJ/mol Joback Calculated Property
logPoct/wat 3.007 Crippen Calculated Property
McVol 268.430 ml/mol McGowan Calculated Property
Inp [3109.20; 3109.20]   Show Hide
Inp 3109.20 NIST
Inp 3109.20 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [381.64; 897.15] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.62480e+01
Coefficient B1.71764e+00
Coefficient C-1.00884e-03
Coefficient D2.04600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 381.64 J/mol×K 273.00 Calculated Property
Cp,gas 474.21 J/mol×K 353.78 Calculated Property
Cp,gas 556.44 J/mol×K 434.56 Calculated Property
Cp,gas 628.99 J/mol×K 515.33 Calculated Property
Cp,gas 692.51 J/mol×K 596.11 Calculated Property
Cp,gas 747.63 J/mol×K 676.89 Calculated Property
Cp,gas 795.01 J/mol×K 757.67 Calculated Property
Cp,gas 835.29 J/mol×K 838.44 Calculated Property
Cp,gas 869.12 J/mol×K 919.22 Calculated Property
Cp,gas 897.15 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0009521; 0.0003788] Pa×s [605.16; 809.98] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.06014e+01
Coefficient B2.20556e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.605.16
Temperature range, max.809.98
η 0.0009521 Pa×s 605.16 Calculated Property
η 0.0008343 Pa×s 627.92 Calculated Property
η 0.0007379 Pa×s 650.68 Calculated Property
η 0.0006580 Pa×s 673.43 Calculated Property
η 0.0005912 Pa×s 696.19 Calculated Property
η 0.0005348 Pa×s 718.95 Calculated Property
η 0.0004867 Pa×s 741.71 Calculated Property
η 0.0004455 Pa×s 764.47 Calculated Property
η 0.0004099 Pa×s 787.22 Calculated Property
η 0.0003788 Pa×s 809.98 Calculated Property

Similar Compounds

2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-. (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-((7-methoxybenzo[d][1,3]dioxol-5-yl)methyl)dihydrofuran-2(3H)-one. (3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (3R,4R)-3-((7-Methoxybenzo[d][1,3]dioxol-5-yl)methyl)-4-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (3R,4R)-3,4-bis(3,4,5-Trimethoxybenzyl)dihydrofuran-2(3H)-one. (3R)-trans-Dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone diTMS. Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5«alpha»,5a«beta»,8a«alpha»)]-. tetrahydro-3,4-dipiperonylfuran-2-ol. 7-tiglyl echinatine, diTMS, dihydro. 7-angelyl echinatine, diTMS, dihydro. Quinine. Quinidine. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Quinine, trimethylsilyl ether.

Find more compounds similar to (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one.

Sources

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