5-Bromo-1H-benzo[d][1,3]oxazine-2,4-dione

Base Information

• Chemical Name: 5-Bromo-1H-benzo[d][1,3]oxazine-2,4-dione
• CAS No.: 77603-45-3
• Molecular Formula: C8H4BrNO3
• Molecular Weight: 242.029
• Hs Code.: 2934999090
• European Community (EC) Number: 816-753-0
• Nikkaji Number: J1.262.631B
• Mol file: 77603-45-3.mol

Synonyms:77603-45-3;5-Bromo-1H-benzo[d][1,3]oxazine-2,4-dione;5-bromo-2H-3,1-benzoxazine-2,4(1H)-dione;5-bromo-1H-3,1-benzoxazine-2,4-dione;2H-3,1-Benzoxazine-2,4(1H)-dione, 5-bromo-;6-bromoisatoic acid anhydride;6-bromo-isatoic acid anhydride;SCHEMBL3498795;YELXVMUMHRDCKE-UHFFFAOYSA-N;AMY40606;MFCD15526667;STL290516;AKOS005267230;AS-14607;CS-0041521;FT-0696148;EN300-3206949;A865189;5-bromo-2H-benzo[d][1,3]oxazine-2,4(1H)-dione;5-bromo-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione;Z1269170595

Chemical Property of 5-Bromo-1H-benzo[d][1,3]oxazine-2,4-dione

Chemical Property:

• Melting Point: 99-103oC
• PSA: 46.17000
• Density: 1.826 g/cm³
• LogP: 1.72190
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 240.93746
• Heavy Atom Count: 13
• Complexity: 256

Purity/Quality:

99%, ^*data from raw suppliers

5-Bromo-1H-benzo[d][1,3]oxazine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Br)C(=O)OC(=O)N2

Technology Process of 5-Bromo-1H-benzo[d][1,3]oxazine-2,4-dione

There total 14 articles about 5-Bromo-1H-benzo[d][1,3]oxazine-2,4-dione 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: 92.0%

phosgene (75-44-5) + 2-amino-6-chlorobenzoic acid (20776-48-1) → 5-bromo-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione (77603-45-3)

Guidance literature:

With sodium hydroxide; In water; toluene; at 0 ℃; for 0.25h;

DOI:10.1071/CH99135

Reference yield: 80.33%

bis(trichloromethyl) carbonate (32315-10-9) + 2-amino-6-chlorobenzoic acid (20776-48-1) → 5-bromo-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione (77603-45-3)

Guidance literature:

In tetrahydrofuran; at 60 ℃; for 16h;

Reference yield: 78.0%

4-bromoisatin (20780-72-7) → 5-bromo-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione (77603-45-3)

Guidance literature:

With diphenyl diselenide; dihydrogen peroxide; In N,N-dimethyl-formamide; acetonitrile; at 25 ℃; for 8h; Schlenk technique; Green chemistry;

DOI:10.1039/c5cy01030f

upstream raw materials:

phosgene

2-amino-6-chlorobenzoic acid

(E)-N-(3-bromophenyl)-2-(hydroxyimino)acetamide

3-bromo-2-methylaniline

Downstream raw materials:

(R)-7-bromo-2,3,4,5-tetrahydro-3-(phenylmethyl)-1H-1,4-benzodiazepine-2,5-dione

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