Montelukast Dicyclohexylamine Salt

Base Information

• Chemical Name: Montelukast Dicyclohexylamine Salt
• CAS No.: 577953-88-9
• Molecular Formula: C47H59ClN2O3S
• Molecular Weight: 767.516
• Hs Code.: 2933497050
• European Community (EC) Number: 611-575-8
• DSSTox Substance ID: DTXSID101021117
• Mol file: 577953-88-9.mol

Synonyms:Montelukast Dicyclohexylamine Salt;577953-88-9;Montelukast dicyclohexylamine;Montelukast (dicyclohexylamine);2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid;N-cyclohexylcyclohexanamine;Montelukast DCHA;Montelukastdicyclohexylamine;SCHEMBL919528;SCHEMBL1400942;ZLOLVGQQYDQBMP-HKHDRNBDSA-N;DTXSID101021117;HY-13315B;AKOS025394759;CS-0104352;F15294;A855837;J-522710;2-[1-({[(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetic acid;Dicyclohexylamine (R,E)-2-(1-(((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetate

Chemical Property of Montelukast Dicyclohexylamine Salt

Chemical Property:

• Vapor Pressure: 1.83E-32mmHg at 25°C
• Melting Point: 65-67°C
• Boiling Point: 871.6°C at 760 mmHg
• Flash Point: 480.9°C
• PSA: 107.75000
• Density: 1.2g/cm3 at 20℃
• LogP: 12.58030
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 766.3934926
• Heavy Atom Count: 54
• Complexity: 1010

Purity/Quality:

99% ^*data from raw suppliers

MontelukastDicyclohexylamineSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O.C1CCC(CC1)NC2CCCCC2
• Isomeric SMILES: CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O.C1CCC(CC1)NC2CCCCC2
• Uses: Montelukast Dicyclohexylamine Salt is a selective leukotriene D4-receptor antagonist. Used as an antiasthmatic.

Technology Process of Montelukast Dicyclohexylamine Salt

There total 22 articles about Montelukast Dicyclohexylamine Salt 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: 90.0%

N-cyclohexyl-cyclohexanamine (101-83-7) + montelukast (158966-92-8) → 1-(((1(R)-(3-(2-(7-chloro-2-quinolinil)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropane acetic acid dicyclohexylamine salt (577953-88-9)

Guidance literature:

In n-heptane; toluene; Product distribution / selectivity;

Reference yield: 85.45%

N-cyclohexyl-cyclohexanamine (101-83-7) + 2-[2-[3(S)-[3-[(1E)-2-(7-chloroquinoline-2-yl)ethenyl]phenyl]-3-methanesulfonyloxypropyl]phenyl]-2-propanol (807638-71-7) + 1-(sulfanylmethyl)cyclopropaneacetic acid (162515-68-6) → 1-(((1(R)-(3-(2-(7-chloro-2-quinolinil)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropane acetic acid dicyclohexylamine salt (577953-88-9)

Guidance literature:

1-(sulfanylmethyl)cyclopropaneacetic acid; With sodium t-butanolate; In toluene; at -3 - 10 ℃; for 1h; Inert atmosphere;

2-[2-[3(S)-[3-[(1E)-2-(7-chloroquinoline-2-yl)ethenyl]phenyl]-3-methanesulfonyloxypropyl]phenyl]-2-propanol; In tetrahydrofuran; toluene; at -5 - 15 ℃;

N-cyclohexyl-cyclohexanamine; In tetrahydrofuran; ethyl acetate; toluene; at 10 - 15 ℃; for 1h;

Reference yield: 40.5%

2-(2-(3(S)-chloro-3-(3-(2-(7-chloro-2-quinolinyl)-(E)ethenyl)phenyl)propyl)phenyl)-2-propanol (880769-28-8) + N-cyclohexyl-cyclohexanamine (101-83-7) + 1-(sulfanylmethyl)cyclopropaneacetic acid (162515-68-6) → 1-(((1(R)-(3-(2-(7-chloro-2-quinolinil)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropane acetic acid dicyclohexylamine salt (577953-88-9)

Guidance literature:

1-(sulfanylmethyl)cyclopropaneacetic acid; With sodium hydride; In N,N-dimethyl-formamide; at -5 ℃; for 1h;

2-(2-(3(S)-chloro-3-(3-(2-(7-chloro-2-quinolinyl)-(E)ethenyl)phenyl)propyl)phenyl)-2-propanol; In N,N-dimethyl-formamide; at -5 - 0 ℃; for 13h;

N-cyclohexyl-cyclohexanamine; In ethyl acetate; at 20 - 22 ℃; for 1.75h;

upstream raw materials:

N-cyclohexyl-cyclohexanamine

montelukast

2-(2-(3(S)-(3-(2-(7-chloroquinolin-2-yl)ethyl)phenyl)-3-(methanesulfonyl-1-oxy)methylethyl)phenyl)-2-propanol

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

Downstream raw materials:

Montelukast sodium

montelukast

Refernces

• 1、 -. "METHOD FOR PRODUCING CRYSTAL OF MONTELUKAST FREE ACID". Paragraph 0056. . Retrieved 2018/10/19.
• 2、 -. "NOVEL MONTELUKAST 4-HALOBENZYLAMINE SALT AND METHOD FOR PREPARING MONTELUKAST SODIUM SALT BY USING THE SAME". Page/Page column 17. . Retrieved 2012/02/13.