Ethyl 4,6-dichloropyrridazine-3-carboxylate
- Product Name
- Ethyl 4,6-dichloropyrridazine-3-carboxylate
- CAS No.
- 679406-03-2
- Chemical Name
- Ethyl 4,6-dichloropyrridazine-3-carboxylate
- Synonyms
- 4,6-Dichloro-pyridazine-3-carboxylic acid ethyl ester;EOS-61510;4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATE;ETHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATE;Ethyl 4,6-dichloro-3-pyridazinecarboxylate;Ethyl 4,6-dichloropyrridazine-3-carboxylate;4,6-Dichloropyrazine-3-carboxylic acid ethyl ester;3-Pyridazinecarboxylic acid, 4,6-dichloro-, ethyl ester
- CBNumber
- CB62461124
- Molecular Formula
- C7H6Cl2N2O2
- Formula Weight
- 221.04
- MOL File
- 679406-03-2.mol
Ethyl 4,6-dichloropyrridazine-3-carboxylate Property
- Boiling point:
- 353.4±37.0 °C(Predicted)
- Density
- 1.433±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Store in freezer, under -20°C
- solubility
- Acetonitrile (Slightly), Chloroform (Soluble), Methanol (Slightly)
- pka
- -2.18±0.10(Predicted)
- form
- Low-Melting Solid
- color
- Brown to Very Dark Brown
- InChI
- InChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)6-4(8)3-5(9)10-11-6/h3H,2H2,1H3
- InChIKey
- MOWPWJUYSRHMHS-UHFFFAOYSA-N
- SMILES
- C1(C(OCC)=O)=NN=C(Cl)C=C1Cl
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- E903353
- Product name
- ethyl4,6-dichloropyridazine-3-carboxylate
- Packaging
- 2.5mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- CS-W022681
- Product name
- Ethyl4,6-dichloropyridazine-3-carboxylate
- Purity
- 97.15%
- Packaging
- 1g
- Price
- $96
- Updated
- 2021/12/16
- Product number
- W7825
- Product name
- Ethyl4,6-dichloropyridazine-3-carboxylate
- Packaging
- 1g
- Price
- $262
- Updated
- 2021/12/16
- Product number
- CS-W022681
- Product name
- Ethyl4,6-dichloropyridazine-3-carboxylate
- Purity
- 97.15%
- Packaging
- 5g
- Price
- $270
- Updated
- 2021/12/16
- Product number
- CS-W022681
- Product name
- Ethyl4,6-dichloropyridazine-3-carboxylate
- Purity
- 97.15%
- Packaging
- 10g
- Price
- $450
- Updated
- 2021/12/16
Ethyl 4,6-dichloropyrridazine-3-carboxylate Chemical Properties,Usage,Production
Uses
Ethyl 4,6-Dichloropyridazine-3-carboxylate is a useful reagent for the green preparation of Deucravacitinib, a deuterated API for TYK2 Inhibition.
Synthesis
To a 350 mL nitrogen purged Schlenk flask containing Ethyl 4,6-dihydroxypyridazine-3-carboxylate (3.77 g, 20.47 mmol) was added phosphorus oxychloride (38 mL, 408 mmol). The vessel was sealed and heated to 100 °C for 3.5 hours. The reaction was cooled to room temperature and the excess phosphorus oxychloride was removed in vacuo. The crude oil was dissolved into chloroform, re-concentrated and then poured into ice water, rinsing with ethyl acetate.The two layers were transferred to a separatory funnel, separated and the aqueous layer extracted 3x with ethyl acetate. The combined organic layers were washed twice with water and once with brine (saturated aqueous sodium chloride) and then dried over sodium sulfate, filtered, concentrated and then purified by automated chromatography (5- 90percent EtOAc:hexanes), providing Ethyl 4,6-dichloropyrridazine-3-carboxylate (3.64 g, 16.3 mmol). ‘H NMR (400MHz, chloroform-d) ? 7.70 (s, 1H), 4.55 (qd, J=7.1, 1.1 Hz, 2H), 1.46 (td, J=7.2, 0.9 Hz, 3H).
References
[1] Patent: WO2014/74661, 2014, A1. Location in patent: Paragraph 00162
[2] Patent: WO2015/123453, 2015, A1. Location in patent: Paragraph 0177
[3] Patent: US2004/77653, 2004, A1. Location in patent: Page 18
[4] Patent: WO2018/183649, 2018, A1. Location in patent: Page/Page column 18
Ethyl 4,6-dichloropyrridazine-3-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Ethyl 4,6-dichloropyrridazine-3-carboxylate manufacturers
- Product
- Ethyl 4,6-dichloropyridazine-3-carboxylate 679406-03-2
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 1
- Release date
- 2025-08-29
- Product
- Ethyl 4,6-dichloropyrridazine-3-carboxylate 679406-03-2
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 99.0%
- Supply Ability
- 20 tons
- Release date
- 2023-07-03
- Product
- Ethyl 4,6-dichloropyrridazine-3-carboxylate 679406-03-2
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- In house standard.
- Supply Ability
- 1 ton
- Release date
- 2023-02-06