Thiomethyl Cyclopropyl Acetonitrile

Base Information

• Chemical Name: Thiomethyl Cyclopropyl Acetonitrile
• CAS No.: 866923-64-0
• Molecular Formula: C6H9 N S
• Molecular Weight: 127.21
• Mol file: 866923-64-0.mol

Synonyms:Thiomethyl Cyclopropyl Acetonitrile

Chemical Property of Thiomethyl Cyclopropyl Acetonitrile

Chemical Property:

• Boiling Point: 248.6±13.0 °C(Predicted)
• PKA: 10.41±0.10(Predicted)
• PSA: 62.59000
• Density: 1.080±0.06 g/cm3(Predicted)
• LogP: 1.61008

Purity/Quality:

97% ^*data from raw suppliers

1-(Mercaptomethyl)cyclopropaneacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-(Mercaptomethyl)cyclopropaneacetonitrile is used as a reagent in the synthesis of Montelukast Sodium Salt (M568000); a selective leukotriene D4-receptor antagonist. Also used as an antiasthmatic.

Technology Process of Thiomethyl Cyclopropyl Acetonitrile

There total 3 articles about Thiomethyl Cyclopropyl Acetonitrile 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:

1-(Acetylthiomethyl)cyclopropaneacetonitrile (152922-72-0) → 1-(mercaptomethyl)cyclopropane acetonitrile (866923-64-0)

Guidance literature:

1-(Acetylthiomethyl)cyclopropaneacetonitrile; With methanol; sodium methylate; at 10 ℃; for 3h;

With water; acetic acid; In toluene; at 0 - 5 ℃; pH=~ 4;

Reference yield:

1-(Acetylthiomethyl)cyclopropaneacetonitrile (152922-72-0) → [1-(Mercaptomethyl)cyclopropyl]acetamide + 1-(mercaptomethyl)cyclopropane acetonitrile (866923-64-0)

Guidance literature:

With potassium hydroxide; In methanol; water; at 50 ℃;

Reference yield:

1-(Acetylthiomethyl)cyclopropaneacetonitrile (152922-72-0) + acetic acid (64-19-7,77671-22-8) → 1-(mercaptomethyl)cyclopropane acetonitrile (866923-64-0)

Guidance literature:

1-(Acetylthiomethyl)cyclopropaneacetonitrile; With sodium methylate; In methanol; at -15 - -12 ℃;

acetic acid; In methanol; n-heptane; water; at 0 ℃; for 0.333333 - 0.5h;

upstream raw materials:

1-(Acetylthiomethyl)cyclopropaneacetonitrile

acetic acid

Downstream raw materials:

2-(1-((((R)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl)methyl)cyclopropyl)acetonitrile

(R,E)-2-((1-((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl)methyl)cyclopropyl)acetamide

2-(1-((((R)-1-(3-bromophenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl) methyl)cyclopropyl)acetonitrile

Refernces

• 1、 -. "Process for the preparation of [R-(E)-1-[[[1-[3-[2-[7-chloro-2-quinolinyl]ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid (montelukast) and its pharmaceutically acceptable salts". Page/Page column 5. . Retrieved 2010/02/14.