6-iodo-2H-3,1-benzoxazine-2,4(1H)-dione

Base Information

• Chemical Name: 6-iodo-2H-3,1-benzoxazine-2,4(1H)-dione
• CAS No.: 116027-10-2
• Molecular Formula: C8H4 I N O3
• Molecular Weight: 289.029
• Hs Code.: 2934999090
• NSC Number: 163036
• DSSTox Substance ID: DTXSID40303860
• Nikkaji Number: J1.366.560E
• Wikidata: Q82049345
• Mol file: 116027-10-2.mol

Synonyms:116027-10-2;6-iodo-2H-3,1-benzoxazine-2,4(1H)-dione;6-iodo-1H-3,1-benzoxazine-2,4-dione;6-iodo-1H-benzo[d][1,3]oxazine-2,4-dione;6-iodoisatoic anhydride;6-iodo-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione;6-iodo-2H-benzo[d][1,3]oxazine-2,4(1H)-dione;NSC163036;5-Iodoisatoic Anhydride;SCHEMBL3132671;JHQFCSRQZPCIHR-UHFFFAOYSA-;DTXSID40303860;JHQFCSRQZPCIHR-UHFFFAOYSA-N;MFCD06661932;STK505572;AKOS000321476;NSC-163036;AM802994;AS-65023;CS-0037669;FT-0679425;EN300-3212967;Z1094720940;InChI=1/C8H4INO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)

Chemical Property of 6-iodo-2H-3,1-benzoxazine-2,4(1H)-dione

Chemical Property:

• Refractive Index: 1.673
• PSA: 63.07000
• Density: 2.088g/cm³
• LogP: 1.08590
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 288.92359
• Heavy Atom Count: 13
• Complexity: 256

Purity/Quality:

97% ^*data from raw suppliers

6-Iodo-2H-3,1-benzoxazine-2,4(1H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1I)C(=O)OC(=O)N2

Technology Process of 6-iodo-2H-3,1-benzoxazine-2,4(1H)-dione

There total 8 articles about 6-iodo-2H-3,1-benzoxazine-2,4(1H)-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: 100.0%

1,1,1,3,3,3-hexachloro-propan-2-one (116-16-5) + 2-amino-5-iodobenzoic acid (5326-47-6) → 5-iodoisatoic anhydride (116027-10-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; at 20 ℃; for 0.166667h;

Reference yield: 100.0%

2-amino-5-iodobenzoic acid (5326-47-6) + trichloromethyl chloroformate (503-38-8) → 5-iodoisatoic anhydride (116027-10-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water;

Reference yield: 92.0%

phosgene (75-44-5) + 2-amino-5-iodobenzoic acid (5326-47-6) → 5-iodoisatoic anhydride (116027-10-2)

Guidance literature:

In 1,4-dioxane; at 60 ℃;

DOI:10.1021/jm00119a014

upstream raw materials:

phosgene

2-amino-5-iodobenzoic acid

bis(trichloromethyl) carbonate

1,1,1,3,3,3-hexachloro-propan-2-one

Downstream raw materials:

3-(2-amino-5-iodo)benzamidopropionic acid ethyl ester

2-amino-5-iodoanthranilamide

2-amino-5-iodo-N-methylbenzamide

methyl 2-amino-5-iodobenzoate