3-Methoxybenzonitrile-cyano-13C

Base Information

• Chemical Name: 3-Methoxybenzonitrile-cyano-13C
• CAS No.: 159528-75-3
• Molecular Formula: C8H7NO
• Molecular Weight: 134.139
• Mol file: 159528-75-3.mol

Synonyms:3-methoxy-benz[d]isothiazole; [nitrile-13C]-3-methoxybenzonitrile; 3-methoxy-benzo[d]isothiazole; 3-Methoxy-1,2-benzisothiazol; 1,2-Benzisothiazole,3-methoxy; 3-Methoxy-benz[d]isothiazol; 3-methoxy-1,2-benzisothiazole; 3-methoxybenzonitrile

Chemical Property of 3-Methoxybenzonitrile-cyano-13C

Chemical Property:

• PSA: 33.02000
• LogP: 1.76128

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Methoxybenzonitrile-cyano-13C

There total 1 articles about 3-Methoxybenzonitrile-cyano-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: 80.0%

3-methoxy-1-iodobenzene (766-85-8) + [13C]-potassium cyanide (25909-68-6) → 3-methoxybenzo<13C>nitrile (159528-75-3)

Guidance literature:

With calcium hydroxide; palladium diacetate; In DMF (N,N-dimethyl-formamide);

Reference yield: 87.0%

3-methoxybenzo<13C>nitrile (159528-75-3) → 3-methoxy[carboxy-13C]benzoic acid (741283-53-4)

Guidance literature:

With sodium hydroxide; for 18h; Heating;

DOI:10.1002/jlcr.1007

Reference yield:

3-methoxybenzo<13C>nitrile (159528-75-3) → 3-methoxy[α-13C]benzyl bromide (741283-55-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 87 percent / sodium hydroxide / 18 h / Heating

2: 83 percent / lithium aluminium hydride / diethyl ether / 48 h / 20 °C

3: phosphorus tribromide / diethyl ether / 20 °C

With sodium hydroxide; lithium aluminium tetrahydride; phosphorus tribromide; In diethyl ether;

DOI:10.1002/jlcr.1007

upstream raw materials:

3-methoxy-1-iodobenzene

[¹³C]-potassium cyanide

Downstream raw materials:

3-methoxy[carboxy-13C]benzoic acid

3-methoxy[α-13C]benzyl bromide

3-methoxy[α-13C]benzyl iodide

3-methoxy[α-13C]benzyl alcohol

Refernces

• 1、 -. "SYNTHESIS OF 13C-LABELLED ESTROGEN ANALOGUES". Page 21. . Retrieved 2010/02/08.