ChemicalBook--->CAS DataBase List--->20699-86-9

20699-86-9

20699-86-9 Structure

20699-86-9 Structure
IdentificationBack Directory
[Name]

5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
[CAS]

20699-86-9
[Synonyms]

BUTTPARK 48\04-47
5-nitrobenzo[b]thiophene-2-carboxylate
methyl 5-nitrobenzothiophene-2-carboxylate
Methyl 5-nitrobenzo[b]thiophene-2-carboxylate
METHYL 5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLATE
5-Nitrothionaphthene-2-carboxylic acid methyl ester
5-Nitro-1-benzothiophene-2-carboxylic acid methyl ester
5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Benzo[b]thiophene-2-carboxylic acid, 5-nitro-, methyl ester
[Molecular Formula]

C10H7NO4S
[MDL Number]

MFCD03618409
[MOL File]

20699-86-9.mol
[Molecular Weight]

237.23
Chemical PropertiesBack Directory
[Melting point ]

199-200 °C
[Boiling point ]

393.2±22.0 °C(Predicted)
[density ]

1.457±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[Appearance]

Light yellow to yellow Solid
[CAS DataBase Reference]

20699-86-9
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315-H302
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
[HS Code ]

2934999090
Spectrum DetailBack Directory
[Spectrum Detail]

5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER(20699-86-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl thioglycolate

2365-48-2

2-Chloro-5-nitrobenzaldehyde

6361-21-3

5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

20699-86-9

General procedure for the synthesis of methyl 5-nitrobenzo[b]thiophene-2-carboxylate from methyl mercaptoacetate and 2-chloro-5-nitrobenzaldehyde: To a solution of 2-chloro-5-nitrobenzaldehyde (3.7 g, 0.020 mol) in N,N-dimethylformamide (40 mL) was added methyl mercaptoacetate (1.82 mL, 0.020 mol), followed by potassium carbonate ( 3.3 g, 0.024 mol). The reaction mixture was stirred at room temperature overnight. After completion of the reaction, water was added to the mixture and the suspension was filtered. The solid residue was washed with water to afford the target product methyl 5-nitrobenzo[b]thiophene-2-carboxylate as a yellow solid. Yield: 95%.

[References]

[1] Synthetic Communications, 1991, vol. 21, # 7, p. 959 - 964
[2] Organic and Biomolecular Chemistry, 2015, vol. 13, # 24, p. 6814 - 6824
[3] Patent: WO2006/101454, 2006, A1. Location in patent: Page/Page column 45
[4] Patent: EP2876105, 2015, A1. Location in patent: Paragraph 0945; 0946
[5] Heterocycles, 2008, vol. 75, # 8, p. 1913 - 1929
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