ChemicalBook > CAS DataBase List > 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID

4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID

Product Name
4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID
CAS No.
313339-35-4
Chemical Name
4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID
Synonyms
RARECHEM AL BO 1988;4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylicaci;4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID;4,6-dichloro-2-(Methylthio)-5-pyriMidine carboxylic acid;5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-(methylthio)-;4,6-dichloro-2-(Methylsulfanyl)pyriMidine-5-carboxylic acid;4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID ISO 9001:2015 REACH
CBNumber
CB9682186
Molecular Formula
C6H4Cl2N2O2S
Formula Weight
239.08
MOL File
313339-35-4.mol
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4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID Property

Melting point:
159-163 °C (D)
Boiling point:
384.5±37.0 °C(Predicted)
Density 
1.71±0.1 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
form 
solid
pka
0.08±0.32(Predicted)
Appearance
Off-white to light yellow Solid
InChI
InChI=1S/C6H4Cl2N2O2S/c1-13-6-9-3(7)2(5(11)12)4(8)10-6/h1H3,(H,11,12)
InChIKey
LUCAXEBLTQAMHS-UHFFFAOYSA-N
SMILES
C1(SC)=NC(Cl)=C(C(O)=O)C(Cl)=N1
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26
WGK Germany 
3
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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.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
718769
Product name
4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid
Purity
97%
Packaging
1g
Price
$149
Updated
2023/06/20
TRC
Product number
D438523
Product name
4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid
Packaging
100mg
Price
$75
Updated
2021/12/16
Biosynth Carbosynth
Product number
FD35529
Product name
4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid
Packaging
5G
Price
$85
Updated
2021/12/16
Matrix Scientific
Product number
090233
Product name
4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid
Purity
95+%
Packaging
1g
Price
$124
Updated
2021/12/16
Biosynth Carbosynth
Product number
FD35529
Product name
4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid
Packaging
2g
Price
$50
Updated
2021/12/16
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4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID Chemical Properties,Usage,Production

Synthesis

6299-25-8

124-38-9

313339-35-4

1. 4,6-dichloro-2-methylthioalkylpyrimidine (1.00 g, 5.13 mmol) was dissolved in tetrahydrofuran (THF, 10 mL). 2. 2.0 M lithium diisopropylammonium (LDA) solution in THF (5.9 mL, 11.8 mmol) was added to the solution at -78 °C and stirred for 1 hour. 3. carbon dioxide gas (dry ice) was passed into the reaction mixture at -78 °C. 4. the reaction mixture was warmed to room temperature and stirring was continued for 1.5 hours. 5. Upon completion of the reaction, the organic layer was separated by adding 10% aqueous hydrochloric acid and ethyl acetate for extraction. 6. The organic layer was dried with anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent. 7. The residue was re-slurried with hexane and the solid was collected by filtration to afford 2-(methylthio)-4,6-dichloropyrimidine-5-carboxylic acid (964 mg, 79% yield). 8. The product was passed through ESI-MSR. 8. The product was characterized by ESI-MS and 1H-NMR: ESI-MS m/z 237 [M-H]-; 1H-NMR (CDCl3) δ 2.60 (s, 3H), 9.68 (brs, 1H).

References

[1] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 16, p. 4642 - 4646
[2] Patent: EP2163554, 2010, A1. Location in patent: Page/Page column 49
[3] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 5, p. 1485 - 1488
[4] Bioorganic and Medicinal Chemistry, 2005, vol. 13, # 20, p. 5717 - 5732
[5] Patent: EP1496059, 2005, A1. Location in patent: Page 19-20

4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID Suppliers

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View Lastest Price from 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID manufacturers

Shaanxi Dideu Medichem Co. Ltd
Product
4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID 313339-35-4
Price
US $1.10/g
Min. Order
1g
Purity
99.0% min
Supply Ability
100 tons min
Release date
2021-11-24
Career Henan Chemical Co
Product
4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID 313339-35-4
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
100KG
Release date
2019-12-25

313339-35-4, 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACIDRelated Search:


  • 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID
  • RARECHEM AL BO 1988
  • 4,6-dichloro-2-(Methylsulfanyl)pyriMidine-5-carboxylic acid
  • 4,6-dichloro-2-(Methylthio)-5-pyriMidine carboxylic acid
  • 5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-(methylthio)-
  • 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylicaci
  • 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID ISO 9001:2015 REACH
  • 313339-35-4
  • C6H4Cl2N2O2S
  • Heterocycle-Pyrimidine series
  • C6 to C8
  • Chemical Synthesis
  • Halogenated Heterocycles
  • Heterocyclic Building Blocks
  • Pyrimidines
  • Building Blocks