3-Bromophthalic anhydride

Base Information

• Chemical Name: 3-Bromophthalic anhydride
• CAS No.: 82-73-5
• Molecular Formula: C8H3BrO3
• Molecular Weight: 227.014
• Hs Code.: 2932999099
• European Community (EC) Number: 676-366-6
• NSC Number: 508895
• DSSTox Substance ID: DTXSID201002366
• Nikkaji Number: J141.258B
• Wikidata: Q72511461
• Mol file: 82-73-5.mol

Synonyms:3-Bromophthalic anhydride;82-73-5;4-Bromoisobenzofuran-1,3-dione;4-bromo-2-benzofuran-1,3-dione;4-bromo-isobenzofuran-1,3-dione;4-bromo-1,3-dihydro-2-benzofuran-1,3-dione;MFCD09800402;NSC508895;Bromophtalic anhydride;bromophthalic anhydride;1,3-ISOBENZOFURANDIONE,5-BROMO-;Phthalic anhydride, 3-bromo-;SCHEMBL550679;DTXSID201002366;1,3-Isobenzofurandione, 4-bromo-;AMY36985;AKOS015920235;FS-2185;NSC 508895;NSC-508895;SY010203;B4061;CS-0094052;FT-0649268;EN300-254308

Chemical Property of 3-Bromophthalic anhydride

Chemical Property:

• Appearance/Colour: yellowish, crystalline solid
• Vapor Pressure: 1.83E-05mmHg at 25°C
• Melting Point: 132-134 °C
• Refractive Index: 1.651
• Boiling Point: 363.2 °C at 760 mmHg
• Flash Point: 173.5 °C
• PSA: 43.37000
• Density: 1.911 g/cm³
• LogP: 1.75970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 225.92656
• Heavy Atom Count: 12
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

3-BromophthalicAnhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Br)C(=O)OC2=O

Technology Process of 3-Bromophthalic anhydride

There total 1 articles about 3-Bromophthalic anhydride 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:

methyl 3-bromo-2-methylbenzoate (99548-54-6) → 3-bromophthalic anhydride (82-73-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium hydroxide; water / tetrahydrofuran / 16 h / 60 °C

2.1: potassium hydroxide; water / 0.08 h / 20 °C

2.2: 16 h / 70 °C

3.1: acetic anhydride / 2 h / 140 °C

With water; acetic anhydride; potassium hydroxide; lithium hydroxide; In tetrahydrofuran;

Reference yield: 94.0%

3-bromophthalic anhydride (82-73-5) + (+/-)-α-aminoglutarimide (2353-44-8,673485-72-8) → 4-bromo-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione (2093536-12-8)

Guidance literature:

With sodium acetate; acetic acid; at 140 ℃; for 12h;

Reference yield: 93.0%

3-bromophthalic anhydride (82-73-5) + 1-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)ethylamine (1255909-25-1) → C19H18BrNO6S

Guidance literature:

With acetic acid; for 2h; Reflux;

upstream raw materials:

methyl 3-bromo-2-methylbenzoate

Downstream raw materials:

2-bromo-6-[1]naphthoyl-benzoic acid

4-bromoisobenzofuran-1(3H)-one

7-bromoisobenzofuran-1-(3H)-one

2-benzoyl-3-bromo-benzoic acid

Refernces