4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine
- Product Name
- 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine
- CAS No.
- 1979-96-0
- Chemical Name
- 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine
- Synonyms
- 4,6-Dichloro-2-(Methylthio)-5-nitropyriMidine;2-Methylthio-4,6-dichloro-5-nitro-pyriMidine;Pyrimidine, 4,6-dichloro-2-(methylthio)-5-nitro-;4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine;4,6-Dichloro-2-(methylthio)-5-nitropyrimidine 98%;4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine-3;4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine ISO 9001：2015 REACH
- CBNumber
- CB12508624
- Molecular Formula
- C5H3Cl2N3O2S
- Formula Weight
- 240.07
- MOL File
- 1979-96-0.mol
4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine Property
- Melting point:
- 61 °C
- Boiling point:
- 360.4±37.0 °C(Predicted)
- Density
- 1.70±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -8.04±0.39(Predicted)
- Appearance
- White to light yellow Solid
- InChI
- InChI=1S/C5H3Cl2N3O2S/c1-13-5-8-3(6)2(10(11)12)4(7)9-5/h1H3
- InChIKey
- GHAWBARMICSLQS-UHFFFAOYSA-N
- SMILES
- C1(SC)=NC(Cl)=C([N+]([O-])=O)C(Cl)=N1
Safety
- HS Code
- 2933599590
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
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
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.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- D435490
- Product name
- 4,6-Dichloro-2-(methylthio)-5-nitro-pyrimidine
- Packaging
- 1g
- Price
- $185
- Updated
- 2021/12/16
- Product number
- G14382
- Product name
- 4,6-Dichloro-2-(methylthio)-5-nitropyrimidine
- Purity
- 98%
- Packaging
- 1g
- Price
- $40
- Updated
- 2021/12/16
- Product number
- FD143743
- Product name
- 4,6-Dichloro-2-(methylthio)-5-nitropyrimidine
- Packaging
- 250mg
- Price
- $57.5
- Updated
- 2021/12/16
- Product number
- CS-W005709
- Product name
- 4,6-Dichloro-2-(methylthio)-5-nitropyrimidine
- Purity
- 99.74%
- Packaging
- 1g
- Price
- $72
- Updated
- 2021/12/16
- Product number
- FD143743
- Product name
- 4,6-Dichloro-2-(methylthio)-5-nitropyrimidine
- Packaging
- 500mg
- Price
- $100
- Updated
- 2021/12/16
4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine Chemical Properties,Usage,Production
Uses
4,6-Dichloro-2-(methylthio)-5-nitro-pyrimidine is a useful synthetic intermediate. It is used to prepare Cathepsin K inhibition SAR. It is also used to synthesize GS39783 (G797150) which is an allosteric positive modulator of GABAB receptors.
Synthesis
1979-97-1
1979-96-0
Step 2: 4,6-Dihydroxy-2-methylthio-5-nitropyrimidine (9.30 g, 45.81 mmol) was mixed with phosphorus trichloride (40 mL) and diethylaniline (12 mL) and the reaction was carried out at reflux for 1 hour. Upon completion of the reaction, the reaction mixture was partially evaporated, followed by slow pouring of the remaining liquid into ice water to precipitate a brown solid. The solid product was collected by filtration and washed well with cold water. The resulting solid was dried under vacuum to afford 4,6-dichloro-2-methylthio-5-nitropyrimidine (10.5 g, 95% yield) as a brown solid. Low resolution mass spectra (LRMS) of the product showed m/z = 240 (corresponding to the [M + H]+ ion of C5H3Cl2N3O2S). Nuclear magnetic resonance (NMR) spectral analysis showed results consistent with the structure of the target compound.
References
[1] Patent: US2007/270433, 2007, A1. Location in patent: Page/Page column 51
[2] Patent: US2008/4253, 2008, A1. Location in patent: Page/Page column 13
[3] Patent: US2009/156599, 2009, A1. Location in patent: Page/Page column 12
[4] Patent: WO2013/68438, 2013, A1. Location in patent: Page/Page column 29-30
[5] Patent: US2010/143301, 2010, A1. Location in patent: Page/Page column 45-46
4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine Preparation Products And Raw materials
Raw materials
Preparation Products
4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine Suppliers
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View Lastest Price from 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine manufacturers
- Product
- 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine 1979-96-0
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.00%
- Supply Ability
- 100 Tons Min
- Release date
- 2021-12-14
- Product
- 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine 1979-96-0
- Price
- US $3.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 200KG
- Release date
- 2020-03-23