Benzoic acid, 4,4'-[1,5-pentanediylbis(oxy)]bis[5-methoxy-2-nitro-

Base Information

Chemical Name:Benzoic acid, 4,4'-[1,5-pentanediylbis(oxy)]bis[5-methoxy-2-nitro-
CAS No.:145325-48-0
Molecular Formula:C21H22N2O12
Molecular Weight:494.412
Hs Code.:
DSSTox Substance ID:DTXSID20571580
Wikidata:Q82459706
Mol file:145325-48-0.mol

Synonyms:145325-48-0;Benzoic acid, 4,4'-[1,5-pentanediylbis(oxy)]bis[5-methoxy-2-nitro-;4,4'-(Pentane-1,5-diylbis(oxy))bis(5-methoxy-2-nitrobenzoic acid);4,4'-[Pentane-1,5-diylbis(oxy)]bis(5-methoxy-2-nitrobenzoic acid);SCHEMBL2468068;DTXSID20571580;4-[5-(4-carboxy-2-methoxy-5-nitrophenoxy)pentoxy]-5-methoxy-2-nitrobenzoic acid

Suppliers and Price of Benzoic acid, 4,4'-[1,5-pentanediylbis(oxy)]bis[5-methoxy-2-nitro-

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
Packaging
price

Total 3 raw suppliers

Chemical Property of Benzoic acid, 4,4'-[1,5-pentanediylbis(oxy)]bis[5-methoxy-2-nitro-

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:12
Exact Mass:494.11727414
Heavy Atom Count:35
Complexity:679

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCCCOC2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)O)OC

Technology Process of Benzoic acid, 4,4'-[1,5-pentanediylbis(oxy)]bis[5-methoxy-2-nitro-

There total 10 articles about Benzoic acid, 4,4'-[1,5-pentanediylbis(oxy)]bis[5-methoxy-2-nitro- 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: 100.0%

: 145325-45-7
1',5'-bis[2-methoxy-4-(methoxycarbonyl)-5-nitrophenoxy]pentane

: 145325-48-0
1',5'-bis(4-carboxy-2-methoxy-5-nitrophenoxy)pentane

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; for 72h;
DOI:10.1021/jm030897l

Reference yield:

: 3943-74-6
4-hydroxy-3-methoxybenzoic acid methyl ester

: 145325-48-0
1',5'-bis(4-carboxy-2-methoxy-5-nitrophenoxy)pentane

Guidance literature:: Multi-step reaction with 3 steps

1.1: diethyl azodicarboxylate; Ph₃P / tetrahydrofuran / 1 h / 0 °C

1.2: tetrahydrofuran / 20 °C

2.1: Cu(NO₃)2*3H₂O; acetic anhydride / 0 - 20 °C

3.1: 100 percent / aq. NaOH / tetrahydrofuran / 72 h

With sodium hydroxide; acetic anhydride; copper(II) nitrate; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; 1.1: Mitsunobu etherification;
DOI:10.1021/jm030897l

Reference yield:

: 145325-42-4
1',5'-bis<2-methoxy-(4-methoxycarbonyl)phenoxy>pentane

: 145325-48-0
1',5'-bis(4-carboxy-2-methoxy-5-nitrophenoxy)pentane

Guidance literature:: Multi-step reaction with 2 steps

1: Cu(NO₃)2*3H₂O; acetic anhydride / 0 - 20 °C

2: 100 percent / aq. NaOH / tetrahydrofuran / 72 h

With sodium hydroxide; acetic anhydride; copper(II) nitrate; In tetrahydrofuran;
DOI:10.1021/jm030897l