5,6-Dihydroxy-1,3-benzodioxole

Base Information

• Chemical Name: 5,6-Dihydroxy-1,3-benzodioxole
• CAS No.: 21505-20-4
• Molecular Formula: C7H6 O4
• Molecular Weight: 154.122
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50449980
• Nikkaji Number: J1.947.797E
• Wikidata: Q82269534
• Mol file: 21505-20-4.mol

Synonyms:21505-20-4;5,6-DIHYDROXY-1,3-BENZODIOXOLE;1,3-Benzodioxole-5,6-diol;Benzo[d][1,3]dioxole-5,6-diol;2H-1,3-benzodioxole-5,6-diol;1,3-dioxaindane-5,6-diol;SCHEMBL2268770;DTXSID50449980;AKOS006292066;1,2-dihydroxy-4,5-methylendioxybenzol;BB 0259697;CS-0267902;FT-0677536;EN300-1599482

Chemical Property of 5,6-Dihydroxy-1,3-benzodioxole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 158-160 °C
• Refractive Index: 1.665
• Boiling Point: 359.8°Cat760mmHg
• PKA: 9.63±0.20(Predicted)
• Flash Point: 171.4°C
• PSA: 58.92000
• Density: 1.581g/cm³
• LogP: 0.82650
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 154.02660867
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

98%Min ^*data from raw suppliers

5,6-Dihydroxy-1,3-benzodioxole 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)O)O

Technology Process of 5,6-Dihydroxy-1,3-benzodioxole

There total 1 articles about 5,6-Dihydroxy-1,3-benzodioxole 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:

4,5-methylenedioxy-2-hydroxybenzaldehyde (4720-68-7) → 1,2-dihydroxy-4,5-methylenedioxybenzene (21505-20-4)

Guidance literature:

With dihydrogen peroxide; triethylamine; at 5 ℃;

DOI:10.1016/j.bmc.2007.03.084

Reference yield: 99.0%

1,2-dihydroxy-4,5-methylenedioxybenzene (21505-20-4) + methyl iodide (74-88-4) → 2-methoxy-4,5-methylenedioxyphenol (21505-18-0)

Guidance literature:

1,2-dihydroxy-4,5-methylenedioxybenzene; With sodium hydroxide; In water; for 0.25h; Cooling with ice;

methyl iodide; In water; for 1h; Reflux;

DOI:10.1021/bc3000468

Reference yield: 58.0%

1,2-dihydroxy-4,5-methylenedioxybenzene (21505-20-4) + N-(4-methoxy)phenylglycine ethyl ester (50845-77-7) → ethyl 2-(6-hydroxybenzo[d][1,3]dioxol-5-yl)-2-((4-methoxyphenyl)amino)acetate

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; copper(II) bis(trifluoromethanesulfonate); In 1,2-dichloro-ethane; at 20 ℃; for 36h; Irradiation;

DOI:10.1021/acs.joc.9b01440

upstream raw materials:

4,5-methylenedioxy-2-hydroxybenzaldehyde

Downstream raw materials:

4,5',6',4''-tetrahydroxy-2',3'-di(phenylacetoxy)-[1,1';4',1''-terphenyl]

C₃₁H₄₂O₆Si₂

5,6-bis(phenylacetoxy)-4,7-di(p-(t-butyldimethylsilyloxy)phenyl)benzo[d][1,3]dioxole

5,6-bis(phenylacetoxy)-4,7-di(p-(t-butyldimethylsilyloxy)phenyl)benzo[d][1,3]dioxol-2-yl acetate

Refernces