ChemicalBook > CAS DataBase List > 4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID

4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID

Product Name
4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID
CAS No.
31166-29-7
Chemical Name
4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID
Synonyms
Dichlorothienoic Acid;Rivaroxaban Impurity P;Rivaroxaban Impurity 18;Rivaroxaban Related Impurity 1;Rivaroxaban associated impurity 1;5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID;2,3-Dichloro-5-thiophenecarboxylic Acid;4,5-Dichloro-2-thiophenecarboxylic acid;4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID;2-Thiophenecarboxylic acid, 4,5-dichloro-
CBNumber
CB9279717
Molecular Formula
C5H2Cl2O2S
Formula Weight
197.04
MOL File
31166-29-7.mol
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4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID Property

Melting point:
196-197 °C
Boiling point:
315.3±37.0 °C(Predicted)
Density 
1.708±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
solubility 
DMSO, Methanol (Slightly)
form 
Solid
pka
3.31±0.10(Predicted)
color 
Pale Beige to Dark Brown
InChI
InChI=1S/C5H2Cl2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
InChIKey
JDBAYLWBVQVMTD-UHFFFAOYSA-N
SMILES
C1(C(O)=O)SC(Cl)=C(Cl)C=1
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Safety

Risk Statements 
36/37/38-20/22
Safety Statements 
20-26-35
HS Code 
29349990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H317May cause an allergic skin reaction

H319Causes serious eye irritation

Precautionary statements

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

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

TRC
Product number
D436375
Product name
4,5-Dichlorothiophene-2-carboxylicAcid
Packaging
250mg
Price
$95
Updated
2021/12/16
TRC
Product number
D436375
Product name
4,5-Dichlorothiophene-2-carboxylicAcid
Packaging
5G
Price
$460
Updated
2021/12/16
Biosynth Carbosynth
Product number
FD45089
Product name
4,5-Dichlorothiophene-2-carboxylic acid
Packaging
10g
Price
$500
Updated
2021/12/16
Frontier Specialty Chemicals
Product number
JK333232
Product name
4,5-Dichlorothiophene-2-carboxylicacid
Purity
98%
Packaging
250mg
Price
$383
Updated
2021/12/16
AK Scientific
Product number
W5325
Product name
4,5-Dichlorothiophene-2-carboxylicacid
Packaging
100g
Price
$5149
Updated
2021/12/16
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4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID Chemical Properties,Usage,Production

Uses

4,5-Dichlorothiophene-2-carboxylic Acid is used in the preparation of compounds that have therapeutic BACE1 and BACE2 inhibitors which are used for the treatment of Alzheimer’s disease, type 2 diabetes and other metabolic disorders.

Synthesis

89281-29-8

31166-29-7

The general procedure for the synthesis of 4,5-dichlorothiophene-2-carboxylic acid from methyl 4,5-dichlorothiophene-2-carboxylate was as follows: methyl 4,5-dichlorothiophene-2-carboxylate (190 g, 0.9 mol) was dissolved in tetrahydrofuran (THF, 1200 mL). Subsequently, 4 M of aqueous lithium hydroxide (LiOH) (250 mL) and diatomaceous earth were added to this solution and mixed well. The reaction mixture was stirred at room temperature for 30 minutes. Upon completion of the reaction, THF was removed by distillation under reduced pressure.The remaining aqueous phase was acidified with 1 N hydrochloric acid and subsequently extracted three times with ethyl acetate. The organic phases were combined, dried over anhydrous magnesium sulfate (MgSO4) and decolorized by activated carbon. After filtration, the white solid product 4,5-dichlorothiophene-2-carboxylic acid (170 g, 96% yield) was obtained. The melting point of the product was 196-197 °C (literature value: 194-195 °C). IR spectrum (KBr): 1689 cm-1 (C=O stretching vibration).1H NMR (DMSO-d6): δ 13.48 (broad peak, 1H, COOH), 7.68 (single peak, 1H, H-3).13C NMR (DMSO-d6): δ 161.5, 132.5, 132.3, 130.1, 124.6.Elemental analysis: C5H2Cl2O2S Calculated values: c, 30.48; h, 1.02. measured values: c, 30.28; h, 1.15. mass spectrum (ESI): m/z 196.0 [M-H]-.

References

[1] Journal of Chemical Research, 2014, vol. 38, # 10, p. 622 - 624

4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID Suppliers

China 132 India 5 Ukraine 1 United Kingdom 3 United States 17 Global 158
Pharmaffiliates Analytics and Synthetics P. Ltd
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mktg@pharmaffiliates.com
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India
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SynZeal Research Pvt Ltd
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standards@synzeal.com
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India
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A.J Chemicals
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Modepro India Private Limited
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modepro@hotmail.com
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India
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View Lastest Price from 4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID manufacturers

Shaanxi Dideu Medichem Co. Ltd
Product
4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID 31166-29-7
Price
US $1.00/Kg
Min. Order
1Kg
Purity
98%
Supply Ability
20T
Release date
2024-07-20
Career Henan Chemical Co
Product
4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID 31166-29-7
Price
US $7.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
1000kg
Release date
2020-01-13

31166-29-7, 4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACIDRelated Search:

3-Morpholinone, 4-(2,4-diaMinophenyl)- (R)-5-chloro-N-(4-(3-oxomorpholino)phenyl)-N- ((2-oxooxazolidin-5-yl)methyl)thiophene-2-carboxamide (R)-N-Glycidylphthalimide 4-(4-NITROPHENYL)MORPHOLIN-3-ONE (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one.HCl 5-Chloro-2-thiophenecarboxylic Acid 2-Thiophenecarboxylic acid 2-[(2R)-2-Hydroxy-3-[[4-(3-oxo-4-Morpho linyl)phenyl]aMino]propyl]-1H-isoindole-1 ,3(2H)-dione Rivaroxaban iMpurity A Benzoic acid, 2-[[[[(5S)-2-oxo-3-[4-(3-oxo-4-Morpholinyl)phenyl]-5-oxazolidinyl]Methyl]aMino]carbonyl]- 4-(3-AMino-phenyl)-Morpholin-3-one (S)-2-(3-chloro-2-hydroxypropyl)isoindoline-1,3-dione Rivaroxaban iMpurity 3 Rivaroxaban Impurity H 4,5-dichloro Rivaroxaban Rivaroxaban Impurity 12 Rivaroxaban Impurity 30 Rivaroxaban Impurity 25

  • 4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID
  • Rivaroxaban Impurity P
  • Rivaroxaban Related Impurity 1
  • Rivaroxaban Impurity 18
  • 2-Thiophenecarboxylic acid, 4,5-dichloro-
  • 5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID
  • 4,5-Dichloro-2-thiophenecarboxylic acid
  • 2,3-Dichloro-5-thiophenecarboxylic Acid
  • Rivaroxaban associated impurity 1
  • Dichlorothienoic Acid
  • 31166-29-7