5-Bromo-2-tetralone

Base Information

• Chemical Name: 5-Bromo-2-tetralone
• CAS No.: 132095-53-5
• Molecular Formula: C10H9BrO
• Molecular Weight: 225.085
• European Community (EC) Number: 854-091-4
• DSSTox Substance ID: DTXSID50398883
• Wikidata: Q72512839
• Mol file: 132095-53-5.mol

Synonyms:5-BROMO-2-TETRALONE;132095-53-5;5-bromo-3,4-dihydronaphthalen-2(1H)-one;5-bromo-3,4-dihydro-1H-naphthalen-2-one;2(1H)-Naphthalenone, 5-bromo-3,4-dihydro-;5-bromo-1,2,3,4-tetrahydronaphthalen-2-one;5-bromo-2 tetralone;SCHEMBL1662187;DTXSID50398883;DDVQSZNNPLLKCW-UHFFFAOYSA-N;CS-B0105;MFCD04038485;AKOS015915131;AB17098;AS-65229;2(1H)-Naphthalenone, 5-bromo-3,4-dihydro;AM20020394;FT-0653463;5-bromanyl-3,4-dihydro-1H-naphthalen-2-one;N10441;A806373

Chemical Property of 5-Bromo-2-tetralone

Chemical Property:

• Vapor Pressure: 0.00016mmHg at 25°C
• Refractive Index: 1.598
• Boiling Point: 330.977 °C at 760 mmHg
• Flash Point: 117.027 °C
• PSA: 17.07000
• Density: 1.511 g/cm³
• LogP: 2.50690
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 223.98368
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-tetralone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(CC1=O)C=CC=C2Br
• Uses: 5-Bromo-2-tetralone is a reagent in the preparation of 2-aminotetralins with high affinity and selectivity for dopamine D3 receptor.

Technology Process of 5-Bromo-2-tetralone

There total 12 articles about 5-Bromo-2-tetralone 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: 80.0%

C10H9BrO → 5-Bromo-2-oxo-1,2,3,4-tetrahydronaphthalene (132095-53-5)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; at 80 ℃; for 0.5h;

Reference yield: 77.0%

dirhodium tetraacetate + 4-(2-bromophenyl)-1-diazobutan-2-one (365555-15-3) → 5-Bromo-2-oxo-1,2,3,4-tetrahydronaphthalene (132095-53-5)

Guidance literature:

With sodium hydrogencarbonate; trifluoroacetic acid; In dichloromethane;

Reference yield: 70.0%

4-(2-bromophenyl)-1-diazobutan-2-one (365555-15-3) → 5-Bromo-2-oxo-1,2,3,4-tetrahydronaphthalene (132095-53-5)

Guidance literature:

rhodium(II) acetate; In dichloromethane; Heating;

DOI:10.1021/ol702247a

upstream raw materials:

ethene

3-Bromophenylacetic acid

4-(2-bromophenyl)-1-diazobutan-2-one

3-(2-bromophenyl)propanoyl chloride

Downstream raw materials:

5-Bromo-N-(4-(4-phenylbenzoylamino)butyl)-2-(R,S)-propylamino-1,2,3,4-tetrahydronaphthalene

5-Cyano-N-(4-(4-phenylbenzoylamino)butyl)-2-(R,S)-propylamino-1,2,3,4-tetrahydronaphthalene

C₁₈H₁₈BrNO