MALONIC ACID BIS(2,4,6-TRICHLOROPHENYL) ESTER
- Product Name
- MALONIC ACID BIS(2,4,6-TRICHLOROPHENYL) ESTER
- CAS No.
- 15781-70-1
- Chemical Name
- MALONIC ACID BIS(2,4,6-TRICHLOROPHENYL) ESTER
- Synonyms
- Zinc02570796;AURORA KA-3280;bis(2,4,6-trichlorophenyl) malonate;Bis(2,4,6-trichlorophenyl) propanedioate;MALONIC ACID BIS(2,4,6-TRICHLOROPHENYL) ESTER;Propanedioic acid, 1,3-bis(2,4,6-trichlorophenyl) ester
- CBNumber
- CB8396118
- Molecular Formula
- C15H6Cl6O4
- Formula Weight
- 462.92
- MOL File
- 15781-70-1.mol
MALONIC ACID BIS(2,4,6-TRICHLOROPHENYL) ESTER Property
- Melting point:
- 149-150 °C(Solv: benzene (71-43-2))
- Boiling point:
- 559.6±50.0 °C(Predicted)
- Density
- 1.648±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- form
- solid
- pka
- 8.02±0.46(Predicted)
- color
- off white
- InChI
- InChI=1S/C15H6Cl6O4/c16-6-1-8(18)14(9(19)2-6)24-12(22)5-13(23)25-15-10(20)3-7(17)4-11(15)21/h1-4H,5H2
- InChIKey
- WYPCGKBOSFOHGU-UHFFFAOYSA-N
- SMILES
- C(OC1=C(Cl)C=C(Cl)C=C1Cl)(=O)CC(OC1=C(Cl)C=C(Cl)C=C1Cl)=O
Safety
- HazardClass
- IRRITANT
- HS Code
- 2917198090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
N-Bromosuccinimide Price
- Product number
- B585618
- Product name
- Bis(2,4,6-trichlorophenyl)Malonate
- Packaging
- 10mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- B585618
- Product name
- Bis(2,4,6-trichlorophenyl)Malonate
- Packaging
- 50mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 059632
- Product name
- Bis(2,4,6-trichlorophenyl) propanedioate
- Purity
- >95%
- Packaging
- 1g
- Price
- $29
- Updated
- 2021/12/16
- Product number
- FB140569
- Product name
- Bis(2,4,6-trichlorophenyl) malonate
- Packaging
- 500mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 059632
- Product name
- Bis(2,4,6-trichlorophenyl) propanedioate
- Purity
- >95%
- Packaging
- 5g
- Price
- $89
- Updated
- 2021/12/16
MALONIC ACID BIS(2,4,6-TRICHLOROPHENYL) ESTER Chemical Properties,Usage,Production
Uses
Bis(2,4,6-trichlorophenyl) Malonate can be used as novel orally active inhibitor of HLE to treat chronic obstructive pulmonary diseases, asthma, emphysema, cystic fibrosis and several inflammatory diseases.
Synthesis
141-82-2
88-06-2
15781-70-1
The general procedure for the synthesis of bis(2,4,6-trichlorophenyl) malonate from malonic acid and 2,4,6-trichlorophenol was as follows: 2,4,6-trichlorophenol (15.8 g, 80 mmol) and malonic acid (4.1 g, 40 mmol) were added to phosphorus triclosamide (100 mL, 1.05 mol) according to the literature method. The reaction mixture was stirred under reflux conditions for 4 hours until the cessation of the escape of hydrogen chloride gas was confirmed by litmus test. The warm crystalline suspension was slowly poured into ice water (500 g) and stirred continuously for 30 minutes. Off-white crystals were collected by filtration and subsequently transferred to a mixture containing water (100 mL) and saturated aqueous sodium bicarbonate (50 mL). After stirring for 30 min, the crystals were filtered again, washed thoroughly with distilled water (3 x 40 mL) and finally dried under vacuum to afford the target product bis(2,4,6-trichlorophenyl) malonate (18.5 g, 95% yield) as a white fine solid. The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ 7.39 (4H, s, Ar-H), 4.05 (2H, s, CH2).
References
[1] European Journal of Medicinal Chemistry, 2003, vol. 38, # 4, p. 421 - 425
[2] Patent: WO2007/16525, 2007, A2. Location in patent: Page/Page column 94; 101-103
[3] Patent: US2008/188467, 2008, A1. Location in patent: Page/Page column 26-27; 29-30; 40-41; 50-51
[4] Patent: US2013/281397, 2013, A1. Location in patent: Paragraph 0450; 0465
[5] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 13, p. 3796 - 3808
MALONIC ACID BIS(2,4,6-TRICHLOROPHENYL) ESTER Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from MALONIC ACID BIS(2,4,6-TRICHLOROPHENYL) ESTER manufacturers
- Product
- MALONIC ACID BIS(2,4,6-TRICHLOROPHENYL) ESTER 15781-70-1
- Price
- US $3.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2020-01-29