6-Bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

Base Information

• Chemical Name: 6-Bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
• CAS No.: 67927-44-0
• Molecular Formula: C8H6BrNO2
• Molecular Weight: 228.045
• Hs Code.: 2934999090
• Mol file: 67927-44-0.mol

Synonyms:6-Bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one;6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one, 97%;6-Bromo-3-methylbenzo[d]oxazol-2(3H)-one

Chemical Property of 6-Bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

Chemical Property:

• Melting Point: 143-144 °C(Solv: hexane (110-54-3))
• Boiling Point: 298.2±42.0 °C(Predicted)
• PKA: -1.30±0.20(Predicted)
• PSA: 35.14000
• Density: 1.710±0.06 g/cm3(Predicted)
• LogP: 1.89400
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

6-Bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-Bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

There total 2 articles about 6-Bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one 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: 55.5%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (6-Bromo-2-oxo-benzooxazol-3-ylmethyl)-triphenyl-phosphonium; chloride (76097-73-9) → 6-bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one (67927-44-0) + 6-Bromo-3-vinyl-3H-benzooxazol-2-one (76088-29-4) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With sodium carbonate; In chloroform; water; for 1h; Ambient temperature;

DOI:10.1007/BF00568378

Reference yield: 45.0%

(6-Bromo-2-oxo-benzooxazol-3-ylmethyl)-triphenyl-phosphonium; chloride (76097-73-9) → 6-bromo-3-chloromethyl-3H-benzooxazol-2-one (70439-29-1) + 6-bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one (67927-44-0) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With formaldehyd; sodium carbonate; In chloroform; water; for 1h; Ambient temperature;

DOI:10.1007/BF00568378

Reference yield: 81.0%

6-bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one (67927-44-0) + bis(pinacol)diborane (73183-34-3) → 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2(3H)-one (1016641-53-4)

Guidance literature:

With potassium acetate; trans-bis(triphenylphosphine)palladium dichloride; In 1,4-dioxane; at 100 ℃; for 7h;

upstream raw materials:

formaldehyd

(6-Bromo-2-oxo-benzooxazol-3-ylmethyl)-triphenyl-phosphonium; chloride

Downstream raw materials:

3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2(3H)-one

6-iodo-3-methyl-1,3-benzoxazol-2(3H)-one

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