3-bromophthalic Acid

Base Information

• Chemical Name: 3-bromophthalic Acid
• CAS No.: 116-69-8
• Molecular Formula: C8H5BrO4
• Molecular Weight: 245.029
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID90461661
• Nikkaji Number: J141.256F
• Wikidata: Q72451529
• Mol file: 116-69-8.mol

Synonyms:3-bromophthalic Acid;116-69-8;1,2-Benzenedicarboxylic acid, 3-bromo-;MFCD17069368;3-Bromo-phthalic acid;1,2-Benzenedicarboxylic acid, bromo-;3-BROMO-1,2-BENZENEDICARBOXYLIC ACID;3-bromophthalicAcid;3-bromo phthalic acid;SCHEMBL241422;DTXSID90461661;OIGFNQRFPUUACU-UHFFFAOYSA-N;BCP26228;SC3841;AKOS015902269;DS-15005;SY011767;CS-0039104;FT-0730934;A15998;3-Bromophthalic Acid

Chemical Property of 3-bromophthalic Acid

Chemical Property:

• Melting Point: 183-184ºC
• Boiling Point: 408.8 °C at 760 mmHg
• PKA: 1.90±0.10(Predicted)
• Flash Point: 201.1 °C
• PSA: 74.60000
• Density: 1.875 g/cm³
• LogP: 1.84550
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 243.93712
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromophthalicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Br)C(=O)O)C(=O)O

Technology Process of 3-bromophthalic Acid

There total 27 articles about 3-bromophthalic Acid 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%

3-bromo-2-methylbenzoic acid (76006-33-2) → 3-bromophthalic acid (116-69-8)

Guidance literature:

3-bromo-2-methylbenzoic acid; With potassium hydroxide; potassium permanganate; In water; at 70 ℃; for 16h;

With hydrogenchloride; sodium hydrogensulfite; In ethanol; water; pH=2 - 3;

Reference yield: 95.0%

3-Aminophthalsaeure hydrobromid → 3-bromophthalic acid (116-69-8)

Guidance literature:

With hydrogen bromide; copper(I) bromide; sodium nitrite; 1.) 0 deg C, 2.) room temp., overnight;

DOI:10.1002/ardp.19813140215

Reference yield: 61.0%

2,3-dimethylbromobenzene (576-23-8) → 3-bromophthalic acid (116-69-8)

Guidance literature:

With potassium permanganate; potassium hydroxide; In water; for 32h; Reflux;

DOI:10.1039/c8cp01999a

upstream raw materials:

1-bromo-5-nitronaphthalene

1,5-dibromonaphthalene

4-bromo-2,3-dihydroinden-1-one

5-bromonaphthalen-2-ol

Downstream raw materials:

6-bromophthalimide

(3α,16α)-eburnamenine-14 carboxylic acid ester hydrochloride

3-hydroxyphthalic anhydride

pomalidomide

Refernces

• 1、 -. "Preparation method of apremilast impurity". Paragraph 0031-0035. . Retrieved 2021/06/02.
• 2、 -. "HETEROCYCLIC DERIVATIVES". Page/Page column 52; 88-89. . Retrieved 2020/08/13.