4-Bromo-7-methoxy-1,3-benzodioxole

Base Information

• Chemical Name: 4-Bromo-7-methoxy-1,3-benzodioxole
• CAS No.: 61535-22-6
• Molecular Formula: C8H7BrO3
• Molecular Weight: 231.046
• DSSTox Substance ID: DTXSID60456660
• Wikidata: Q82279214

Synonyms:4-bromo-7-methoxybenzo[d][1,3]dioxole;61535-22-6;4-Bromo-7-methoxy-1,3-benzodioxole;1,3-Benzodioxole, 4-bromo-7-methoxy-;SCHEMBL6837756;DTXSID60456660;LISWFPRVJNBBGC-UHFFFAOYSA-N;7-bromo-4-methoxy-1,3-benzodioxole

Chemical Property of 4-Bromo-7-methoxy-1,3-benzodioxole

Chemical Property:

• Melting Point: 94-95 °C(Solv: hexane (110-54-3))
• Boiling Point: 275.1±40.0 °C(Predicted)
• PSA: 27.69000
• Density: 1.640±0.06 g/cm3(Predicted)
• LogP: 2.18640
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 229.95786
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

98%+ ^*data from raw suppliers

4-Bromo-7-methoxybenzo[d][1,3]dioxole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C2C(=C(C=C1)Br)OCO2

Technology Process of 4-Bromo-7-methoxy-1,3-benzodioxole

There total 9 articles about 4-Bromo-7-methoxy-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: 76.0%

diiodomethane (75-11-6) + 1-Bromo-2,3dihydroxy-4methoxy-benzene (61559-82-8) → 1-bromo-4-methoxy-2,3-methylenedioxybenzene (61535-22-6)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 1h;

Reference yield:

1-Bromo-2,3dihydroxy-4methoxy-benzene (61559-82-8) + 1,1-dibromomethane (74-95-3) → 1-bromo-4-methoxy-2,3-methylenedioxybenzene (61535-22-6)

Guidance literature:

With potassium carbonate; copper(II) oxide; at 110 ℃; for 5.5h;

Reference yield:

4-methoxy-benzo[1,3]dioxole (1817-95-4) → 1-bromo-4-methoxy-2,3-methylenedioxybenzene (61535-22-6) + 5-bromo-4-methoxy-benzo[1,3]dioxole (118871-61-7)

Guidance literature:

With bromine; iron; In tetrachloromethane; at 20 ℃;

DOI:10.1007/BF00496594

upstream raw materials:

4-methoxy-benzo[1,3]dioxole

5-Iodo-4-methoxy-benzo[1,3]dioxole

1-Bromo-2,3dihydroxy-4methoxy-benzene

1,1-dibromomethane

Downstream raw materials:

4-methoxy-2,3-methylenedioxy-benzaldehyde

ethyl 4-(7-methoxy-1,3-benzodioxol-4-yl)-3-cyclohexenecarboxylate

ethyl 4-hydroxy-4-(7-methoxy-1,3-benzodioxol-4-yl)cyclohexanecarboxylate

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