Methyl 3-hydroxy-2-nitro-4-(trifluoromethyl)benzoate

Base Information

Chemical Name:Methyl 3-hydroxy-2-nitro-4-(trifluoromethyl)benzoate
CAS No.:126541-89-7
Molecular Formula:C₉H₆F₃NO₅
Molecular Weight:265.146
Hs Code.:
DSSTox Substance ID:DTXSID601218939

Synonyms:methyl 3-hydroxy-2-nitro-4-(trifluoromethyl)benzoate;DTXSID601218939;benzoic acid, 3-hydroxy-2-nitro-4-(trifluoromethyl)-, methyl ester;126541-89-7

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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 Methyl 3-hydroxy-2-nitro-4-(trifluoromethyl)benzoate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:265.01980678
Heavy Atom Count:18
Complexity:340

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=C(C(=C(C=C1)C(F)(F)F)O)[N+](=O)[O-]

Technology Process of Methyl 3-hydroxy-2-nitro-4-(trifluoromethyl)benzoate

There total 5 articles about Methyl 3-hydroxy-2-nitro-4-(trifluoromethyl)benzoate 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: 49.0%

: 126541-88-6
3-Hydroxy-4-(trifluormethyl)benzoesaeure-methylester

: 126541-89-7
3-Hydroxy-2-nitro-4-(trifluormethyl)benzoesaeure-methylester

: 126541-90-0
3-Hydroxy-6-nitro-4-(trifluormethyl)benzoesaeure-methylester

Guidance literature:: With nitric acid; In acetic acid; at 50 ℃;

Reference yield:

: 455-24-3
4-trifluoromethylbenzoic acid

: 126541-89-7
3-Hydroxy-2-nitro-4-(trifluormethyl)benzoesaeure-methylester

Guidance literature:: Multi-step reaction with 5 steps

1: 25 percent / HNO₃ (d=1.5) / 1 h / Heating

2: 88 percent / H₂ / Pd/A-Kohle / methanol

3: 70 percent / NaNO₂, aq. H₂SO₄ / acetic acid / -5 deg C, 15 min, then room temp., 2h, then reflux, 3 min

4: 55 mg / methanol; diethyl ether / 0.25 h

5: 40 percent / HNO₃ (d=1.42) / acetic acid / 50 °C

With sulfuric acid; hydrogen; nitric acid; sodium nitrite; A-Kohle; palladium; In methanol; diethyl ether; acetic acid;

Reference yield:

: 116965-16-3
3-nitro-4-(trifluoromethyl)benzoic acid

: 126541-89-7
3-Hydroxy-2-nitro-4-(trifluormethyl)benzoesaeure-methylester

Guidance literature:: Multi-step reaction with 4 steps

1: 88 percent / H₂ / Pd/A-Kohle / methanol

2: 70 percent / NaNO₂, aq. H₂SO₄ / acetic acid / -5 deg C, 15 min, then room temp., 2h, then reflux, 3 min

3: 55 mg / methanol; diethyl ether / 0.25 h

4: 40 percent / HNO₃ (d=1.42) / acetic acid / 50 °C

With sulfuric acid; hydrogen; nitric acid; sodium nitrite; A-Kohle; palladium; In methanol; diethyl ether; acetic acid;