(2-Amino-benzothiazol-6-yl)-acetic acid ethyl ester | CAS No. 68195-02-8

(2-Amino-benzothiazol-6-yl)-acetic acid ethyl ester

Basic Information

CAS Number

68195-02-8

Molecular Formula

C11H12N2O2S

Molecular Weight

236.3 g/mol

AD

Basic Physical Properties

CCOC(=O)CC1=CC2=C(C=C1)N=C(S2)N

InChI

InChI=1S/C11H12N2O2S/c1-2-15-10(14)6-7-3-4-8-9(5-7)16-11(12)13-8/h3-5H,2,6H2,1H3,(H2,12,13)

InChIKey

HBYRGKVSKZCQGF-UHFFFAOYSA-N

LogP

1.9841

Topological Polar Surface Area

65.21 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

262

Synonyms & References

English

  • 6-Benzothiazoleacetic acid, 2-amino-, ethyl ester
  • Ethyl (2-amino-1,3-benzothiazol-6-yl)acetate
  • Ethyl (2-Amino-benzothiazol-6-yl)-acetate
  • AR-009/40188628
  • 2-Amino-6-ethoxycarbonylmethylbenzothiazole
  • 68195-02-8
  • MFCD05664559
  • Ethyl 2-(2-aminobenzo[d]thiazol-6-yl)acetate
  • EN300-7413594
  • Ethyl2-(2-aminobenzo[d]thiazol-6-yl)acetate
  • C11H12N2O2S
  • SCHEMBL113117
  • HBYRGKVSKZCQGF-UHFFFAOYSA-N
  • DB-220430
  • CS-0212740
  • (2-amino-benzothiazol-6-yl)-acetic acid ethyl ester
  • ethyl 2-aminobenzothiazole-6-acetate
  • ethyl 2-(2-amino-1,3-benzothiazol-6-yl)acetate
  • ethyl (2-amino-1,3-benzothiazol-6-yl)acetate

MDL Number

MFCD05664559

FAQ

What are the physical and chemical properties of (2-Amino-benzothiazol-6-yl)-acetic acid ethyl ester (CAS: 68195-02-8)?

(2-Amino-benzothiazol-6-yl)-acetic acid ethyl ester (CAS: 68195-02-8) is a crystalline solid with a molecular weight of approximately 268.27 g/mol. It has a pKa of 4.3 and is moderately soluble in water. This compound is known for its reactive nature, particularly towards nucleophiles and bases.

How is (2-Amino-benzothiazol-6-yl)-acetic acid ethyl ester (CAS: 68195-02-8) typically synthesized?

(2-Amino-benzothiazol-6-yl)-acetic acid ethyl ester (CAS: 68195-02-8) is synthesized by the esterification of 2-amino-benzothiazol-6-yl-acetic acid with ethanol in the presence of a catalytic amount of acid. Commonly, this is achieved using sulfuric acid or p-toluenesulfonic acid as the catalyst. The reaction is carried out at room temperature to moderate heat, yielding a high selectivity and good yield.

What industries use (2-Amino-benzothiazol-6-yl)-acetic acid ethyl ester (CAS: 68195-02-8)?

(2-Amino-benzothiazol-6-yl)-acetic acid ethyl ester (CAS: 68195-02-8) has applications in the pharmaceutical industry for its role as a precursor in the synthesis of bioactive compounds. It is also used in the polymer industry for its stabilizing properties and in the development of sensors for detecting specific analytes.

What precautions should be taken when handling (2-Amino-benzothiazol-6-yl)-acetic acid ethyl ester (CAS: 68195-02-8)?

When handling (2-Amino-benzothiazol-6-yl)-acetic acid ethyl ester (CAS: 68195-02-8), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Always use a fume hood to minimize exposure to fumes. Proper storage in a cool, dry place away from heat and oxidizers is crucial. In case of spill, clean up using appropriate methods and refer to the Safety Data Sheet (SDS) for detailed instructions.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...