2,2-Dibromo-1-indanone

Base Information

• Chemical Name: 2,2-Dibromo-1-indanone
• CAS No.: 7749-02-2
• Molecular Formula: C9H6 Br2 O
• Molecular Weight: 289.954
• NSC Number: 128362
• DSSTox Substance ID: DTXSID40299133
• Nikkaji Number: J133.729G
• Wikidata: Q72464458
• Mol file: 7749-02-2.mol

Synonyms:2,2-Dibromo-1-indanone;7749-02-2;2,2-dibromo-3H-inden-1-one;2,2-dibromoindan-1-one;2,2-dibromo-2,3-dihydro-1H-inden-1-one;1H-Inden-1-one, 2,2-dibromo-2,3-dihydro-;NSC128362;2,2-Dibromo-1-indanone #;DTXSID40299133;VGEJBODXYMOIGZ-UHFFFAOYSA-N;NSC-128362;1H-Inden-1-one,2-dibromo-2,3-dihydro-;AC-082/11576101

Chemical Property of 2,2-Dibromo-1-indanone

Chemical Property:

• Vapor Pressure: 0.00062mmHg at 25°C
• Melting Point: 140-142℃
• Boiling Point: 310℃
• Flash Point: 111℃
• PSA: 17.07000
• Density: 2.039
• LogP: 2.91150
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 289.87649
• Heavy Atom Count: 12
• Complexity: 213

Purity/Quality:

95% ^*data from raw suppliers

2,2-DIBROMO-1-INDANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(=O)C1(Br)Br

Technology Process of 2,2-Dibromo-1-indanone

There total 2 articles about 2,2-Dibromo-1-indanone 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:

nitric acid (7697-37-2,78989-43-2) + 2-bromoindanone (1775-27-5) → 2,2-dibromoindan-1-one (7749-02-2) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

Reference yield:

inden-1-one (83-33-0) → 2,2-dibromoindan-1-one (7749-02-2) + 2-bromoindanone (1775-27-5)

Guidance literature:

With 2,2-dimethyl-5,5-dibromo-1,3-dioxane-4,6-dione; In tetrachloromethane; for 3.5h;

DOI:10.1021/jo961387k

Reference yield: 95.0%

2,2-dibromoindan-1-one (7749-02-2) → phthalic anhydride (85-44-9)

Guidance literature:

With dihydrogen peroxide; oxygen; In water; at 120 ℃; for 8h; under 15001.5 Torr; Green chemistry;

DOI:10.1007/s00706-013-0928-4

upstream raw materials:

inden-1-one

nitric acid

2-bromoindanone

Downstream raw materials:

(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol

3-phenylindeno[1,2-e][1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-phenyl-10,10a-dihydroindeno[1,2-e][1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

2-benzofuran-1(3H)-one