4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid

Base Information

• Chemical Name: 4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid
• CAS No.: 1006036-87-8
• Molecular Formula: C25H22F3NO3S
• Molecular Weight: 473.51
• Mol file: 1006036-87-8.mol

Synonyms:4-[1-[[[2,5-DIMETHYL-4-[[4-(TRIFLUOROMETHYL)PHENYL]METHYL]-3-THIENYL]CARBONYL]AMINO]CYCLOPROPYL]BENZOICACID

Chemical Property of 4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid

Chemical Property:

• Melting Point: 254-256℃
• Boiling Point: 569.4±50.0 °C(Predicted)
• PKA: 4.35±0.10(Predicted)
• PSA: 94.64000
• Density: 1.39±0.1 g/cm3(Predicted)
• LogP: 6.48270
• Solubility.: Soluble in DMSO

Purity/Quality:

97% ^*data from raw suppliers

MK-2894 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid

There total 3 articles about 4-[1-[[[2,5-Dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3-thienyl]carbonyl]amino]cyclopropyl]benzoic acid 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%

methyl 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoate (1006037-11-1) → 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acid (1006036-87-8)

Guidance literature:

methyl 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoate; With lithium hydroxide; In tetrahydrofuran; methanol; water; at 50 ℃; for 17h;

With hydrogenchloride; In tetrahydrofuran; methanol; water; at 20 ℃;

DOI:10.1021/jm901771h

Reference yield:

4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acid diethylamine salt → 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acid (1006036-87-8)

Guidance literature:

With hydrogenchloride; In Me-THF; water; at 20 ℃; Product distribution / selectivity;

Reference yield:

4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acid L-lysine salt → 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acid (1006036-87-8)

Guidance literature:

With hydrogenchloride; In Me-THF; water; at 20 ℃; for 0.666667h; Product distribution / selectivity;

upstream raw materials:

methyl 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoate