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2-AMINO-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLICACIDMETHYLESTER

2-AMINO-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLICACIDMETHYLESTER structure

CAS No:
4651-93-8
Formula:
C8H11NO2S
Chemical Name:
2-AMINO-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLICACIDMETHYLESTER
Synonyms:
AKOS92456;AKOSB000679;AKOSNCG-0059;ART-CHEM-BBB000679;SPECSAK-968/37166326;METHYL2-AMINO-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE;METHYL2-AMINO-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE;2-AMINO-4,5-DIMETHYL-3-THIOPHENECARBOXYLICACIDMETHYLESTER;2-AMINO-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLICACIDMETHYLESTER;3-Thiophenecarboxylicacid,2-amino-4,5-dimethyl-,methylester
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-AMINO-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLICACIDMETHYLESTER Basic Attributes

Molecular Weight：

185.24

Exact Mass：

185.05100

DSSTox ID：

DTXSID50356105

Characteristics

PSA：

80.6

XLogP3：

2.4

Density：

1.221 g/cm3

Melting Point：

123-125 °C

Boiling Point：

287.8°C at 760 mmHg

Flash Point：

127.9ºC

Refractive Index：

1.577

Safety Information

Hazard category：

IRRITANT

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-AMINO-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLICACIDMETHYLESTER Use and Manufacturing

The sulfur powder (160.0mg, 5.0mmol) to a single-neck flask, Add DMF 1.5 mL, Were successively added methyl cyanoacetate (495.4mg, 5.0mmol), Morpholine (435.6 mg, 5.0 mmol), The reaction solution was dark brown, 2-butanone (901.4 mg, 12.5 mmol) was added, 50 ° C overnight.After completion of the reaction, the mixture was cooled to room temperature, Add appropriate amount of water, Ethyl acetate was extracted three times, The combined organic phases were washed with saturated brine, Dried over anhydrous magnesium sulfate, The crude product was distilled under reduced pressure.Separation and purification by column chromatography, To give a pale yellow solid.Yield: 40.7percent

Computed Properties

Molecular Weight:185.25
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:185.05104977
Monoisotopic Mass:185.05104977
Topological Polar Surface Area:80.6
Heavy Atom Count:12
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-AMINO-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLICACIDMETHYLESTER

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

2-AMINO-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLICACIDMETHYLESTER

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