Ethyl 3-(benzo[d]thiazol-2-yl)-2-oxopropanoate

Name: Ethyl 3-(benzo[d]thiazol-2-yl)-2-oxopropanoate
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CAS No. 66904-39-0
Cat. No. CS-0573215
Molecule weight249.29
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Ethyl 3-(benzo[d]thiazol-2-yl)-2-oxopropanoate|CS-0573215

Structure of 66904-39-0

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General Information

CAS No. 66904-39-0
Cat. No. CS-0573215
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₁NO₃S
Molecular Weight 249.29
Synonym(s) Ethyl 3-(2-benzothiazolyl) pyruvate
SMILES CCOC(=O)C(=O)CC1=NC2=CC=CC=C2S1

Synthesis

Route1
- In-stock
  
  120-75-2
- 95-92-1
- ~71%
- 66904-39-0
References
- Zupet; Tisler Synthetic Communications, 1992 , vol. 22, # 15 p. 2245 - 2251
Route2
- 29182-45-4
- ~%
- 66904-39-0
References
- Borsche; Doeller Justus Liebigs Annalen der Chemie, 1939 , vol. 537, p. 53,65

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 56.26
LogP 1.971
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiazole compounds

Key Words

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Ethyl 3-(benzo[d]thiazol-2-yl)-2-oxopropanoate

CAS No. 66904-39-0

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General Information

Synthesis

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