BROMOBENZENE-4-13C

Base Information

• Chemical Name: BROMOBENZENE-4-13C
• CAS No.: 287399-23-9
• Molecular Formula: C₆H₅Br
• Molecular Weight: 162.944
• Mol file: 287399-23-9.mol

Synonyms:BROMOBENZENE-4-13C

Chemical Property of BROMOBENZENE-4-13C

Chemical Property:

• Melting Point: -31 °C(lit.)
• Boiling Point: 156 °C(lit.)
• Flash Point: 51 °C
• PSA: 0.00000
• Density: 1.500 g/mL at 25 °C
• LogP: 2.44910

Purity/Quality:

99% ^*data from raw suppliers

BROMOBENZENE-4-13C 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 10-38-51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BROMOBENZENE-4-13C

There total 2 articles about BROMOBENZENE-4-13C 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: 70.0%

benzene-(13)C6 (32488-44-1) → bromobenzene-1,2,3,4,5,6-13C6 (112630-77-0,287399-23-9)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; trifluorormethanesulfonic acid; In dichloromethane;

DOI:10.1002/jlcr.1267

Reference yield:

[13C6]phenol (89059-34-7) → bromobenzene-1,2,3,4,5,6-13C6 (112630-77-0,287399-23-9)

Guidance literature:

With hydrogen bromide;

DOI:10.1002/jlcr.3193

Reference yield: 70.0%

Trimethyl borate (121-43-7,63156-11-6) + bromobenzene-1,2,3,4,5,6-13C6 (112630-77-0,287399-23-9) → (13C6)phenylboronic acid

Guidance literature:

bromobenzene-1,2,3,4,5,6-¹³C₆; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.583333h;

Trimethyl borate; In tetrahydrofuran; hexane; at -78 ℃; for 0.75h;

DOI:10.1002/jlcr.3944

upstream raw materials:

benzene-⁽¹³⁾C₆

[¹³C₆]phenol

Downstream raw materials:

[1,2,3,4,4a,8a-(13)C6]naphthalene

[1,2,3,4,4a,8a-⁽¹³⁾C₆]naphthalen-2-ethanol

13C-labeled tetraphenylphosphonium bromide

2-nitro-1-propene-1-yl-[¹³C₆]-benzene

Refernces

• 1、 Karlsen, Morten,Liu, Huiling,Berg, Thomas,Johansen, Jon Eigill,Hoff, Bard Helge. "Synthesis of [13C6]-labelled phenethylamine derivatives for drug quantification in biological samples". . p. 378 - 387. Retrieved 2014/06/10.
• 2、 Zippi, Elizabeth M.. "Synthesis of phenyl-13C6-ethene". . p. 757 - 761. Retrieved 2007/10/03.