Methyl benzo[d]oxazole-6-carboxylate

Name: Methyl benzo[d]oxazole-6-carboxylate
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CAS No. 1305711-40-3
Cat. No. CS-0037045
Purity≥97%
MDL No.MFCD14635902

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Methyl benzo[d]oxazole-6-carboxylate|CS-0037045

Structure of 1305711-40-3

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General Information

CAS No. 1305711-40-3
Cat. No. CS-0037045
Purity ≥97%
MDL No. MFCD14635902
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇NO₃
Molecular Weight 177.16
Synonym(s) Methyl 6-Benzoxazolecarboxylate
SMILES COC(=O)C1=CC2=C(C=C1)N=CO2

Description

Methyl benzo[d]oxazole-6-carboxylate is a heterocyclic ester featuring a fused benzoxazole core with a methyl carboxylate at the 6-position. This configuration imparts enhanced stability and solubility in organic solvents, enabling efficient incorporation into synthetic sequences. The compound serves as a key intermediate for bioactive molecule development, particularly in medicinal chemistry and materials science applications.

Application

Methyl benzo[d]oxazole-6-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to biologically relevant scaffolds. Its carboxylate functionality facilitates direct derivatization via ester hydrolysis or coupling reactions, while the fused oxazole ring provides robust stability and favorable electronic properties for further functionalization. This compound is particularly valuable in medicinal chemistry campaigns targeting kinase inhibitors and other pharmaceutical candidates, offering excellent bench stability and compatibility with standard synthetic protocols.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 52.33
LogP 1.6144
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzooxazole compounds

Key Words

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Methyl benzo[d]oxazole-6-carboxylate

CAS No. 1305711-40-3

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