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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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