Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monopotassiumsalt

Base Information

• Chemical Name: Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monopotassiumsalt
• CAS No.: 15307-81-0
• Molecular Formula: C₁₄H₁₀Cl₂NO₂*K
• Molecular Weight: 334.243
• Hs Code.: 2922492050
• Mol file: 15307-81-0.mol

Synonyms:Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monopotassiumsalt;SCHEMBL40785;D95081

Chemical Property of Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monopotassiumsalt

Chemical Property:

• Appearance/Colour: White to yellowish crystalline powder
• Vapor Pressure: 1.59E-07mmHg at 25°C
• Melting Point: 156-158oC
• Boiling Point: 412 °C at 760 mmHg
• Flash Point: 203 °C
• PSA: 52.16000
• LogP: 3.10240
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Sparingly soluble in water, freely soluble in methanol, soluble in ethanol (96 per cent), slightly soluble in acetone.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 333.9803905
• Heavy Atom Count: 20
• Complexity: 304

Purity/Quality:

99%-101% ^*data from raw suppliers

Diclofenac potassium ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,N
• Statements: 22-51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl.[K]
• Description: Dichlofenac potassium is the potassium salt of dichlofenac. It is a nonsteroidal anti-inflammatory agent that can be used to reduce inflammation and as an analgesic to reduce pain in certain conditions. It can also used to treat dysmenorrhea. It can treat inflammatory disorders such as musculoskeletal complaints, dental pain, arthritis, actinic keratosis, joint pain, acute pain and chronic pain caused by certain kinds of cancers. Traditional opinion proposes that diclofenac exerts its action via inhibition of prostaglandin synthesis by inhibiting cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2) with relative equipotency. However, recent studies have shown that the pharmacologic activity of diclofenac goes beyond COX inhibition, and includes multimodal and, in some instances, novel mechanisms of action (MOA). For example, research suggests diclofenac can inhibit the thromboxane-prostanoid receptor, affect arachidonic acid release and uptake, inhibit lipoxygenase enzymes, and activate the nitric oxide–cGMP antinociceptive pathway. Other novel MOAs may include the inhibition of substrate P, inhibition of peroxisome proliferator activated receptor gamma (PPARγ), blockage of acid-sensing ion channels, alteration of interleukin-6 production, and inhibition of N-methyl-D-aspartate (NMDA) receptor hyperalgesia.
• Uses: Cyclo-oxygenase inhibitor; analgesic; anti-inflammatory.

Technology Process of Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monopotassiumsalt

There total 1 articles about Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monopotassiumsalt 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-(2,6-dichlorophenyl)indolin-2-one (15362-40-0) → cataflam (15307-86-5,15307-81-0)

Guidance literature:

With sodium dithionite; water; potassium hydroxide; for 8.5h; Reflux;

Reference yield: 96.3%

propoxyphene hydrochloride (1639-60-7) + cataflam (15307-86-5,15307-81-0) → (2S,3R)-(+)-4-(dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate diclofenate

Guidance literature:

In water; at 50 ℃; for 0.25 - 0.5h; Product distribution / selectivity;

Reference yield: 90.0%

cataflam (15307-86-5,15307-81-0) → cis-(±)-(4-chloro-6-(naphthalen-1-yl)-tetrahydro-2H-pyran-2-yl)methyl 2-(2-(2,6-dichlorophenylamino)phenyl)acetate

Guidance literature:

With potassium carbonate; N,N-dimethyl-formamide; In dichloromethane; at 100 ℃; for 1.5h; Microwave irradiation;

DOI:10.1016/j.bmc.2013.07.041

upstream raw materials:

1-(2,6-dichlorophenyl)indolin-2-one

Downstream raw materials:

C₂₇H₁₇Cl₂N₄O₆^(1-)*K⁽¹⁺⁾

C₃₃H₂₁Cl₂N₄O₆^(1-)*K⁽¹⁺⁾

C₂₈H₁₉Cl₂N₄O₆^(1-)*K⁽¹⁺⁾

C₃₅H₂₆Cl₂N₅O₆^(1-)*K⁽¹⁺⁾

Refernces