1,2-Propanediol, 3-(2-ethoxyphenoxy)-3-phenyl-, 2-methanesulfonate 1-(4-nitrobenzoate), [R-(R,S)]-

Base Information

Chemical Name:1,2-Propanediol, 3-(2-ethoxyphenoxy)-3-phenyl-, 2-methanesulfonate 1-(4-nitrobenzoate), [R-(R*,S*)]-
CAS No.:98769-71-2
Molecular Formula:C₂₅H₂₅NO₉S
Molecular Weight:515.541
Hs Code.:
DSSTox Substance ID:DTXSID301113586

Synonyms:DTXSID301113586;1,2-Propanediol, 3-(2-ethoxyphenoxy)-3-phenyl-, 2-methanesulfonate 1-(4-nitrobenzoate), [R-(R*,S*)]-;98769-71-2

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,2-Propanediol, 3-(2-ethoxyphenoxy)-3-phenyl-, 2-methanesulfonate 1-(4-nitrobenzoate), [R-(R*,S*)]-

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:515.12500255
Heavy Atom Count:36
Complexity:795

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC1=CC=CC=C1OC(C2=CC=CC=C2)C(COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C
Isomeric SMILES:CCOC1=CC=CC=C1O[C@@H](C2=CC=CC=C2)[C@@H](COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

Technology Process of 1,2-Propanediol, 3-(2-ethoxyphenoxy)-3-phenyl-, 2-methanesulfonate 1-(4-nitrobenzoate), [R-(R*,S*)]-

There total 12 articles about 1,2-Propanediol, 3-(2-ethoxyphenoxy)-3-phenyl-, 2-methanesulfonate 1-(4-nitrobenzoate), [R-(R*,S*)]- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

: 124-63-0
methanesulfonyl chloride

: 98769-70-1,98819-71-7
(2RS,3SR)-3-(2-ethoxyphenoxy)-2-hydroxy-1-(4-nitrobenzoyloxy)-3-phenylpropane

: 98769-71-2,98854-88-7
(2RS,3SR)-3-(2-ethoxyphenoxy)-2-mesyloxy-1-(4-nitrobenzoyloxy)-3-phenylpropane

Guidance literature:: With triethylamine; In dichloromethane; at 0 - 5 ℃; for 0.5h;
DOI:10.1016/S0040-4020(01)96541-X

Reference yield:

: 4407-36-7
(2E)-3-phenyl-2-propen-1-ol

: 98769-71-2,98854-88-7
(2RS,3SR)-3-(2-ethoxyphenoxy)-2-mesyloxy-1-(4-nitrobenzoyloxy)-3-phenylpropane

Guidance literature:: Multi-step reaction with 4 steps

1: MCPBA / CH₂Cl₂ / 0 deg C, 1.5 h, then RT, 24 h

2: 1.) NaOH / 1.) H₂O, 70 deg C; 2.) H₂O, 70 deg C, 2.5 h

3: 61 percent / pyridine / 2 h / -10 °C

4: 84 percent / Et₃N / CH₂Cl₂ / 0.5 h / 0 - 5 °C

With sodium hydroxide; triethylamine; 3-chloro-benzenecarboperoxoic acid; In pyridine; dichloromethane;
DOI:10.1016/S0040-4020(01)96541-X

Reference yield:

: 94-71-3
2-Ethoxyphenol

: 98769-71-2,98854-88-7
(2RS,3SR)-3-(2-ethoxyphenoxy)-2-mesyloxy-1-(4-nitrobenzoyloxy)-3-phenylpropane

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaOH / 1.) H₂O, 70 deg C; 2.) H₂O, 70 deg C, 2.5 h

2: 61 percent / pyridine / 2 h / -10 °C

3: 84 percent / Et₃N / CH₂Cl₂ / 0.5 h / 0 - 5 °C

With sodium hydroxide; triethylamine; In pyridine; dichloromethane;
DOI:10.1016/S0040-4020(01)96541-X