DICHLOROPHENYL-ABA

Base Information

• Chemical Name: DICHLOROPHENYL-ABA
• CAS No.: 18201-65-5
• Molecular Formula: C13H9 Cl2 N O2
• Molecular Weight: 282.126
• Hs Code.: 2922499990
• Mol file: 18201-65-5.mol

Synonyms:Anthranilicacid, N-(3,5-dichlorophenyl)- (8CI)

Chemical Property of DICHLOROPHENYL-ABA

Chemical Property:

• Vapor Pressure: 7.85E-08mmHg at 25°C
• Melting Point: 245 °C
• Boiling Point: 420.8°Cat760mmHg
• PKA: 3.62±0.36(Predicted)
• Flash Point: 208.3°C
• PSA: 49.33000
• Density: 1.47g/cm³
• LogP: 4.50820
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ~18 mg/mL at ~60 °C

Purity/Quality:

97% ^*data from raw suppliers

Dichlorophenyl-ABA ≥98% (HPLC), solid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of DICHLOROPHENYL-ABA

There total 7 articles about DICHLOROPHENYL-ABA 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: 76.0%

methyl 2-(3,5-dichlorophenylamino)benzoate → 2-(3,5-dichlorophenylamino)benzoic acid (18201-65-5)

Guidance literature:

methyl 2-(3,5-dichlorophenylamino)benzoate; With potassium hydroxide; In ethanol; water; for 3h; Inert atmosphere; Reflux;

With hydrogenchloride; In ethanol; water; pH=2; Inert atmosphere;

DOI:10.1021/ol200429a

Reference yield: 13.0%

3,5-Dichloroaniline (626-43-7) + 2-bromobenzoic-acid (88-65-3) → 2-(3,5-dichlorophenylamino)benzoic acid (18201-65-5)

Guidance literature:

With 4-methyl-morpholine; copper(I) oxide; In 1,4-dioxane; for 16h; Heating;

DOI:10.1021/jm00061a019

Reference yield:

potassium o-bromobenzoate (16497-87-3) + 3,5-Dichloroaniline (626-43-7) → 2-(3,5-dichlorophenylamino)benzoic acid (18201-65-5)

Guidance literature:

With N-ethylmorpholine;; copper diacetate; In N,N-dimethyl-formamide; at 145 ℃; for 3h;

upstream raw materials:

potassium 2-chlorobenzoate

3,5-Dichloroaniline

potassium o-bromobenzoate

2-bromobenzoic-acid

Downstream raw materials:

(3,5-dichlorophenyl)phenylamine

N-{2-[(allyl(benzyl)amino)methyl]phenyl}-3,5-dichloroaniline

4-benzyl-1-(3,5-dichlorophenyl)-2-[2-(trifluoromethyl)benzyl]-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one

4-benzyl-1-(3,5-dichlorophenyl)-2-(pyridine-3-ylmethyl)-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one

Refernces

• 1、 Oza, Vibha B.,Smith, Craig,Raman, Prakash,Koepf, Edward K.,Lashuel, Hilal A.,Petrassi, H. Mike,Chiang, Kyle P.,Powers, Evan T.,Sachettinni, James,Kelly, Jeffery W.. "Synthesis, structure, and activity of diclofenac analogues as transthyretin amyloid fibril formation inhibitors". . p. 321 - 332. Retrieved 2007/10/03.
• 2、 Kaltenbronn,Scherrer,Short,Jones,Beatty,Saka,Winder,Wax,Williamson. "Structure-activity relationships in a series of anti-inflammatory N-arylanthranilic acids". . p. 621 - 627. Retrieved 2007/10/02.