Octanoic acid, 6,8-bis[(4-nitrobenzoyl)oxy]-, methyl ester, (S)-

Base Information

Chemical Name:Octanoic acid, 6,8-bis[(4-nitrobenzoyl)oxy]-, methyl ester, (S)-
CAS No.:168416-68-0
Molecular Formula:C23H24N2O10
Molecular Weight:488.451
Hs Code.:
DSSTox Substance ID:DTXSID10451968
Wikidata:Q82272293
Mol file:168416-68-0.mol

Synonyms:168416-68-0;Octanoic acid, 6,8-bis[(4-nitrobenzoyl)oxy]-, methyl ester, (S)-;DTXSID10451968

Suppliers and Price of Octanoic acid, 6,8-bis[(4-nitrobenzoyl)oxy]-, methyl ester, (S)-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of Octanoic acid, 6,8-bis[(4-nitrobenzoyl)oxy]-, methyl ester, (S)-

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:14
Exact Mass:488.14309497
Heavy Atom Count:35
Complexity:732

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CCCCC(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Isomeric SMILES:COC(=O)CCCC[C@@H](CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Octanoic acid, 6,8-bis[(4-nitrobenzoyl)oxy]-, methyl ester, (S)-

There total 3 articles about Octanoic acid, 6,8-bis[(4-nitrobenzoyl)oxy]-, methyl ester, (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: 97.0%

: 88853-25-2
(6R)-(+)-methyl 6,8-dihydroxyoctanoate

: 62-23-7
4-nitro-benzoic acid

: 168416-68-0
(6S)-(+)-methyl 6,8-bis(4-nitrobenzoxy)octanoate

Guidance literature:: With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; for 0.5h; Ambient temperature;
DOI:10.1016/S0968-0896(96)00234-9

Reference yield:

: 168416-67-9
(7R)-(-)-7-(2'-acetoxyethyl)-2-oxepanone

: 168416-68-0
(6S)-(+)-methyl 6,8-bis(4-nitrobenzoxy)octanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / NaOMe / 3 h / Ambient temperature

2: 97 percent / Ph₃P, DEAD / tetrahydrofuran / 0.5 h / Ambient temperature

With sodium methylate; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran;
DOI:10.1016/S0968-0896(96)00234-9

Reference yield:

: 90677-54-6
6,8-dihydroxyoctanoic acid methyl ester

: 62-23-7
4-nitro-benzoic acid

: C₂₃H₂₄N₂O₁₀

: 168416-68-0
(6S)-(+)-methyl 6,8-bis(4-nitrobenzoxy)octanoate

Guidance literature:: With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; Yield given. Title compound not separated from byproducts;
DOI:10.1039/c39950001563