Ethyl 2-chloro-6-benzothiazolecarboxylate
- Product Name
- Ethyl 2-chloro-6-benzothiazolecarboxylate
- CAS No.
- 78485-37-7
- Chemical Name
- Ethyl 2-chloro-6-benzothiazolecarboxylate
- Synonyms
- Ethyl 2-Chlorobenzothiazole-6-carboxylate;Ethyl 2-chloro-6-benzothiazolecarboxylate;Ethyl2-chlorobenzo[d]thiazole-6-carboxylate;2-Chlorobenzothiazole-6-carboxylic acid ethyl ester;6-Benzothiazolecarboxylic acid, 2-chloro-, ethyl ester;2-chloro-1,3-benzothiazole-6-carboxylic acid ethyl ester;JR-14052, Ethyl 2-chlorobenzo[d]thiazole-6-carboxylate, 97%
- CBNumber
- CB21482038
- Molecular Formula
- C10H8ClNO2S
- Formula Weight
- 241.69
- MOL File
- 78485-37-7.mol
Ethyl 2-chloro-6-benzothiazolecarboxylate Property
- Melting point:
- 90-92°
- Boiling point:
- 340.5±15.0 °C(Predicted)
- Density
- 1.400
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -1.37±0.10(Predicted)
- Appearance
- White to yellow Solid
- InChI
- InChI=1S/C10H8ClNO2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3
- InChIKey
- XISSCVMIXDMKLH-UHFFFAOYSA-N
- SMILES
- S1C2=CC(C(OCC)=O)=CC=C2N=C1Cl
Safety
- HazardClass
- IRRITANT
- HS Code
- 2934208090
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
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- E903553
- Product name
- Ethyl2-chloro-6-benzothiazolecarboxylate
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- J51153
- Product name
- Ethyl2-chloro-6-benzothiazolecarboxylate
- Packaging
- 1g
- Price
- $68
- Updated
- 2021/12/16
- Product number
- 046537
- Product name
- Ethyl 2-chloro-1,3-benzothiazole-6-carboxylate
- Purity
- 97%
- Packaging
- 500mg
- Price
- $102
- Updated
- 2021/12/16
- Product number
- 046537
- Product name
- Ethyl 2-chloro-1,3-benzothiazole-6-carboxylate
- Purity
- 97%
- Packaging
- 1g
- Price
- $150
- Updated
- 2021/12/16
- Product number
- 8H23-5-06
- Product name
- Ethyl 2-chloro-1,3-benzothiazole-6-carboxylate
- Packaging
- 1g
- Price
- $256
- Updated
- 2021/12/16
Ethyl 2-chloro-6-benzothiazolecarboxylate Chemical Properties,Usage,Production
Synthesis
50850-93-6
78485-37-7
General procedure for the synthesis of ethyl 2-chlorobenzo[d]thiazole-6-carboxylate from ethyl 2-aminobenzo[d]thiazole-6-carboxylate: In a 500 mL single-necked flask, copper chloride (6.0 g, 44.6 mmol), tert-butyl nitrite (7.1 mL, 59.4 mmol), and acetonitrile (200 mL) were added and the mixture was cooled to 0 °C. Subsequently, ethyl 2-aminobenzo[d]thiazole-6-carboxylate (6.6 g, 29.7 mmol) was added in batches over 30 min. The reaction mixture was gradually warmed to room temperature and stirred overnight. After completion of the reaction, the filtrate was filtered through silica gel and the filtrate was added dropwise to 1 M HCl (60 mL) and stirred for 10 min to form a partition. The aqueous layer was extracted with ethyl acetate (100 mL), the organic layers were combined, washed with saturated brine and dried over anhydrous Na2SO4. After filtration again, it was rotary evaporated to dryness and purified by column chromatography (petroleum ether:ethyl acetate = 25:1) to afford 6.2 g of a pale yellow solid, ethyl 2-chlorobenzo[d]thiazole-6-carboxylate, in 86% yield. The product was characterized by 1H NMR (400 MHz, CDCl3): δ 8.54 (d, J = 0.8 Hz, 1H), 8.20 (dd, J = 1.6 Hz, 8.4 Hz, 1H), 8.01 (d, J = 8.0 Hz, 1H), 4.45 (q, J = 7.2 Hz, 2H), 1.45 (t, J = 7.2 Hz, 3H).
References
[1] Patent: EP3401315, 2018, A1. Location in patent: Paragraph 0062; 0064
[2] Farmaco, 1994, vol. 49, # 3, p. 153 - 166
Ethyl 2-chloro-6-benzothiazolecarboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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