2-Hydroxy-5-methoxy-[1,4]benzoquinone

Base Information

• Chemical Name: 2-Hydroxy-5-methoxy-[1,4]benzoquinone
• CAS No.: 5691-70-3
• Molecular Formula: C17H17NO4S
• Molecular Weight: 154.122
• Hs Code.: 2914690090
• DSSTox Substance ID: DTXSID70972346
• Wikidata: Q82956095

Synonyms:5691-70-3;2-Hydroxy-5-methoxy-[1,4]benzoquinone;CBMicro_030798;Oprea1_514244;DTXSID70972346;STK401682;AKOS001626638;methyl 2-{[(4-methoxyphenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;BIM-0030998.P001;FT-0695095;SR-01000430624;SR-01000430624-1;ME 2-((4-MEO-BENZOYL)AMINO)-5,6-DIHYDRO-4H-CYCLOPENTA(B)THIOPHENE-3-CARBOXYLATE;Methyl 2-(4-methoxybenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Chemical Property of 2-Hydroxy-5-methoxy-[1,4]benzoquinone

Chemical Property:

• Vapor Pressure: 2.4E-08mmHg at 25°C
• Melting Point: 179 °C (decomp)
• Boiling Point: 451.6°Cat760mmHg
• PKA: 2.70±0.30(Predicted)
• Flash Point: 226.9°C
• PSA: 92.87000
• Density: 1.332g/cm³
• LogP: 3.35730
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 331.08782920
• Heavy Atom Count: 23
• Complexity: 450

Purity/Quality:

98%Min ^*data from raw suppliers

2-HYDROXY-5-METHOXY[1,4]BENZOQUINONE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

Technology Process of 2-Hydroxy-5-methoxy-[1,4]benzoquinone

There total 15 articles about 2-Hydroxy-5-methoxy-[1,4]benzoquinone 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: 35.0%

4-(1-Cyclopropyl-nonyloxy)-5-methoxy-[1,2]benzoquinone (115685-92-2) → 2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione (5691-70-3) + acetate de cyclopropyl-1 nonyle (115686-06-1) + 3-(1-Cyclopropyl-nonyl)-2-hydroxy-5-methoxy-[1,4]benzoquinone (115685-98-8)

Guidance literature:

In acetic acid; for 8h; Heating;

DOI:10.1016/S0040-4020(01)83457-8

Reference yield: 25.0%

4-(1-Cyclopropyl-ethoxy)-5-methoxy-[1,2]benzoquinone (115685-93-3) → 2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione (5691-70-3) + 3-(1-Cyclopropyl-ethyl)-2-hydroxy-5-methoxy-[1,4]benzoquinone (115685-99-9)

Guidance literature:

In acetic acid; for 24h; Heating;

DOI:10.1016/S0040-4020(01)83457-8

Reference yield: 20.0%

4-Methoxy-5-(1-phenyl-ethoxy)-[1,2]benzoquinone (115685-94-4) → 2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione (5691-70-3) + 2-Hydroxy-5-methoxy-3-(1-phenyl-ethyl)-[1,4]benzoquinone (115686-00-5)

Guidance literature:

In acetic acid; for 2h; Heating;

DOI:10.1016/S0040-4020(01)83457-8

upstream raw materials:

5-methoxybenzene-1,2,4-triol

Perbenzoic acid

chloroform

1,3-Dimethoxybenzene

Downstream raw materials:

2,5-dimethoxyquinone

C₁₁H₁₅NO₄

2-methoxy-4,5-di-acetoxyphenyl acetate

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