ChemicalBook > CAS DataBase List > 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine

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

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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

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Safety

HS Code: 2933599590

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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..…

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N-Bromosuccinimide Price

TRC

Product number: D435490
Product name: 4,6-Dichloro-2-(methylthio)-5-nitro-pyrimidine
Packaging: 1g
Price: $185
Updated: 2021/12/16

Matrix Scientific

Product number: 058972
Product name: 4,6-Dichloro-2-methylsulfanyl-5-nitro-pyrimidine
Purity: 95+%
Packaging: 1g
Price: $190
Updated: 2021/12/16

ChemScene

Product number: CS-W005709
Product name: 4,6-Dichloro-2-(methylthio)-5-nitropyrimidine
Purity: 99.74%
Packaging: 5g
Price: $208
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FD143743
Product name: 4,6-Dichloro-2-(methylthio)-5-nitropyrimidine
Packaging: 250mg
Price: $57.5
Updated: 2021/12/16

ChemScene

Product number: CS-W005709
Product name: 4,6-Dichloro-2-(methylthio)-5-nitropyrimidine
Purity: 99.74%
Packaging: 1g
Price: $72
Updated: 2021/12/16

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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

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View Lastest Price from 4,6-Dichloro-2-Methylsulfanyl-5-nitro-pyriMidine manufacturers

Dideu Industries Group Limited

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

Career Henan Chemical Co

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

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1979-96-0