Methyl 2-hydroxy-2-(4-nitrophenyl)acetate

Name: Methyl 2-hydroxy-2-(4-nitrophenyl)acetate
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CAS No. 13305-09-4
Cat. No. CS-0062208
Purity≥96%
MDL No.MFCD29919631

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 2-hydroxy-2-(4-nitrophenyl)acetate|CS-0062208

Structure of 13305-09-4

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General Information

CAS No. 13305-09-4
Cat. No. CS-0062208
Purity ≥96%
MDL No. MFCD29919631
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉NO₅
Molecular Weight None
Synonym(s) Methyl(S)-2-hydroxy-2-(4-nitrophenyl)acetate
SMILES O=C(OC)C(O)C1=CC=C([N+]([O-])=O)C=C1

Description

Methyl 2-hydroxy-2-(4-nitrophenyl)acetate features a hydroxyl group flanked by a nitro-substituted phenyl ring and an ester moiety, enabling its use in synthetic transformations requiring electron-deficient aryl systems. The molecule exhibits bench-stable handling characteristics and integrates readily into multistep syntheses involving nucleophilic addition or condensation reactions.

Application

Methyl 2-hydroxy-2-(4-nitrophenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted benzoic acid derivatives and heterocyclic scaffolds. The ortho-hydroxyketone functionality facilitates efficient cyclization reactions, while the methyl ester group offers compatibility with standard functional group interconversions. Its bench-stable nature and tolerance to diverse reaction conditions support reliable use in multi-step syntheses.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 89.67
LogP 0.8012
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2-hydroxy-2-(4-nitrophenyl)acetate

CAS No. 13305-09-4

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