ANISOLE-13C6 (RING-13C6)

Base Information

• Chemical Name: ANISOLE-13C6 (RING-13C6)
• CAS No.: 152571-52-3
• Molecular Formula: C₇H₈O
• Molecular Weight: 114.074
• Mol file: 152571-52-3.mol

Synonyms:METHOXY(BENZENE-13C6);ANISOLE-13C6 (RING-13C6);Anisole-13C6

Chemical Property of ANISOLE-13C6 (RING-13C6)

Chemical Property:

• Melting Point: -37 °C(lit.)
• Refractive Index: 1.492
• Boiling Point: 154 °C(lit.)
• Flash Point: 51°C
• PSA: 9.23000
• Density: 1.049 g/mL at 25 °C
• LogP: 1.69520

Purity/Quality:

99% ^*data from raw suppliers

Anisole-13C6 ^*data from reagent suppliers

Safty Information:

• Statements: 10

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Labelled Anisole, Anisole-13C6 is used in perfumery.

Technology Process of ANISOLE-13C6 (RING-13C6)

There total 2 articles about ANISOLE-13C6 (RING-13C6) 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: 99.0%

dimethyl sulfate (77-78-1) + [13C6]phenol (89059-34-7) → anisole-1,2,3,4,5,6-13C6 (152571-52-3,154492-88-3)

Guidance literature:

[¹³C₆]phenol; With sodium hydroxide; In water; for 0.5h; Inert atmosphere;

dimethyl sulfate; In water; at 0 - 50 ℃; for 1h; Inert atmosphere;

DOI:10.1002/jlcr.3193

Reference yield: 91.0%

methanol (67-56-1) + bromobenzene-1,2,3,4,5,6-13C6 (112630-77-0,287399-23-9) → anisole-1,2,3,4,5,6-13C6 (152571-52-3,154492-88-3)

Guidance literature:

bromobenzene-1,2,3,4,5,6-¹³C₆; With sodium methylate; In methanol; at 120 ℃; for 1.5h; Dean-Stark;

methanol; With copper(I) bromide; at 120 ℃; for 2h; Dean-Stark;

DOI:10.1016/j.tet.2020.131352

Reference yield: 98.0%

anisole-1,2,3,4,5,6-13C6 (152571-52-3,154492-88-3) → 1-bromo-4-methoxybenzene-1,2,3,4,5,6-13C6 (1538556-42-1)

Guidance literature:

With Selectfluor; sodium bromide; In acetonitrile; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.tet.2020.131352

upstream raw materials:

dimethyl sulfate

[¹³C₆]phenol

methanol

bromobenzene-1,2,3,4,5,6-¹³C₆

Downstream raw materials:

[¹³C₆]-4-nitroanisole

[¹³C₆]-2-nitroanisole

1-bromo-4-methoxybenzene-1,2,3,4,5,6-¹³C₆

[¹³C₆]-4-methoxyphenyl-2-propanone

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.