CID 11057156

Base Information

Chemical Name:CID 11057156
CAS No.:343308-53-2
Molecular Formula:C₁₂H₁₄BrNO₆
Molecular Weight:348.15
Hs Code.:
DSSTox Substance ID:DTXSID801240758

Synonyms:343308-53-2;DTXSID801240758;4-(4-Bromobutoxy)-5-methoxy-2-nitrobenzoic acid

Suppliers and Price of CID 11057156

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of CID 11057156

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:347.00045
Heavy Atom Count:20
Complexity:334

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCCBr

Technology Process of CID 11057156

There total 3 articles about CID 11057156 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: 93.0%

: 343308-50-9
methyl 4-(4-bromobutoxy)-5-methoxy-2-nitrobenzoate

: 343308-53-2
4-(4-bromobutoxy)-5-methoxy-2-nitrobenzoic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 12h;
DOI:10.1016/j.bmc.2005.08.020

Reference yield:

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

: 343308-53-2
4-(4-bromobutoxy)-5-methoxy-2-nitrobenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / potassium carbonate / acetone / 48 h / Heating

2: 88 percent / stannic chloride; fuming nitric acid / CH₂Cl₂ / 0.08 h / -25 °C

3: 93 percent / lithium hydroxide monohydrate / tetrahydrofuran; H₂O; methanol / 12 h / 20 °C

With lithium hydroxide; nitric acid; tin(IV) chloride; potassium carbonate; In tetrahydrofuran; methanol; dichloromethane; water; acetone;
DOI:10.1016/j.bmc.2005.08.020

Reference yield:

: 343308-47-4
methyl 4-(4-bromobutoxy)-3-methoxybenzoate

: 343308-53-2
4-(4-bromobutoxy)-5-methoxy-2-nitrobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / stannic chloride; fuming nitric acid / CH₂Cl₂ / 0.08 h / -25 °C

2: 93 percent / lithium hydroxide monohydrate / tetrahydrofuran; H₂O; methanol / 12 h / 20 °C

With lithium hydroxide; nitric acid; tin(IV) chloride; In tetrahydrofuran; methanol; dichloromethane; water;
DOI:10.1016/j.bmc.2005.08.020