2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy Montelukast

Base Information Edit

Chemical Name:2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy Montelukast
CAS No.:851755-56-1
Molecular Formula:C34H32ClNO4S
Molecular Weight:586.151
Hs Code.:
UNII:KUW20633YM
DSSTox Substance ID:DTXSID20234345
Nikkaji Number:J2.462.263K
Wikidata:Q27282454
Mol file:851755-56-1.mol

Synonyms:851755-56-1;2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy Montelukast;KUW20633YM;DES(1-hydroxy-1-methylethyl) methycarboxy montelukast;(+)-Des(1-hydroxy-1-methylethyl) methycarboxy montelukast;(1-((((1R)-1-(3-((E)-2-(7-Chloroquinolin-2-yl)ethenyl)phenyl)-3-(2-(methoxycarbonyl)phenyl)propyl)sulfanyl)methyl)cyclopropyl)acetic acid;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(2-methoxycarbonylphenyl)propyl]sulfanylmethyl]cyclopropyl]acetic acid;Benzoic acid, 2-((3R)-3-(((1-(carboxymethyl)cyclopropyl)methyl)thio)-3-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)propyl)-, 1-methyl ester;Montelukast Impurity H;Montelukast sodium impurity H [EP];UNII-KUW20633YM;SCHEMBL1401162;DTXSID20234345;2-[1-[1(R)-[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(methoxycarbonyl)phenyl]propylsulfanylmethyl]cyclopropyl]acetic acid;2 inverted exclamation mark -Des(1-hydroxy-1-methylethyl)-2 inverted exclamation mark -methycarboxy Montelukast;A1-01777;MONTELUKAST SODIUM IMPURITY H [EP IMPURITY];Q27282454;(R,E)-2-(1-(((1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(methoxycarbonyl)phenyl)propyl)thio)methyl)cyclopropyl)acetic acid

Suppliers and Price of 2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy Montelukast

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2’-Des(1-hydroxy-1-methylethyl)-2’-methycarboxyMontelukast
1g
$ 1695.00

Medical Isotopes, Inc.
2??-Des(1-hydroxy-1-methylethyl)-2??-methycarboxyMontelukast
100 mg
$ 675.00

Total 14 raw suppliers

Chemical Property of 2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy Montelukast Edit

Chemical Property:

Boiling Point:757.0±60.0 °C(Predicted)
PKA:4.76±0.10(Predicted)
PSA：101.79000
Density:1.299±0.06 g/cm3(Predicted)
LogP:8.50720
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:7.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:585.1740574
Heavy Atom Count:41
Complexity:909

Purity/Quality:

99%+, ^*data from raw suppliers

2’-Des(1-hydroxy-1-methylethyl)-2’-methycarboxyMontelukast ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O
Isomeric SMILES:COC(=O)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
Uses 2’-Des(1-hydroxy-1-methylethyl)-2’-methycarboxy Montelukast (Montelukast EP Impurity H) is an impurity of the selective leukotriene D4-receptor antagonist, Montelukast (M568000). An impurity of the selective leukotriene D4-receptor antagonist, Montelukast (M568000).

Technology Process of 2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy Montelukast

There total 23 articles about 2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy Montelukast 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: 98.0%

: 906107-37-7
C₃₄H₃₂ClNO₄S*ClH

: 851755-56-1
[R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(methoxycarbonyl)phenyl]propyl]thio]methyl]-cyclopropane acetic acid

Guidance literature:: With sodium acetate; acetic acid; In water; at 20 ℃; for 1h; pH=5; Product distribution / selectivity;

Reference yield: 80.0%

: 906107-36-6
Methyl [S-(E)]-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-methanesulfonyloxy-propyl] benzoate

: 1-(mercaptomethyl)cyclopropane acetic acid dilithium salt

: 851755-56-1
[R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(methoxycarbonyl)phenyl]propyl]thio]methyl]-cyclopropane acetic acid

Guidance literature:: Methyl [S-(E)]-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-methanesulfonyloxy-propyl] benzoate; 1-(mercaptomethyl)cyclopropane acetic acid dilithium salt; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 - 5 ℃; for 2.2h;

With water; ammonium chloride; In tetrahydrofuran; N,N-dimethyl-formamide; toluene; Product distribution / selectivity;

Reference yield: 75.0%

: 906107-36-6
Methyl [S-(E)]-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-methanesulfonyloxy-propyl] benzoate

: 851755-56-1
[R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(methoxycarbonyl)phenyl]propyl]thio]methyl]-cyclopropane acetic acid

Guidance literature:: 1-(sulfanylmethyl)cyclopropaneacetic acid; With lithium hexamethyldisilazane; In tetrahydrofuran; at 0 - 5 ℃; for 1.5h;

Methyl [S-(E)]-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-methanesulfonyloxy-propyl] benzoate; In tetrahydrofuran; at 0 - 5 ℃; for 4h;

With water; ammonium chloride; In tetrahydrofuran; toluene; Product distribution / selectivity;