Methyl 3-bromo-4-(hydroxymethyl)benzoate

Name: Methyl 3-bromo-4-(hydroxymethyl)benzoate
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CAS No. 90326-62-8
Cat. No. CS-0096062
Purity≥97%
MDL No.MFCD15527253

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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+
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Methyl 3-bromo-4-(hydroxymethyl)benzoate|CS-0096062

Structure of 90326-62-8

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General Information

CAS No. 90326-62-8
Cat. No. CS-0096062
Purity ≥97%
MDL No. MFCD15527253
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉BrO₃
Molecular Weight 245.07
Synonym(s) Benzoic acid, 3-bromo-4-(hydroxymethyl)-, methyl ester
SMILES O=C(OC)C1=CC=C(CO)C(Br)=C1

Description

Methyl 3-bromo-4-(hydroxymethyl)benzoate features a brominated aromatic ring with a pendant hydroxymethyl group, enabling selective functionalization in synthetic sequences. The ester moiety provides stability and compatibility with standard reaction conditions. This compound serves as a key intermediate for bioactive molecule synthesis, particularly in pharmaceutical and agrochemical development where halogenation and hydroxyl-directed derivatization are required.

Application

Methyl 3-bromo-4-(hydroxymethyl)benzoate serves as a versatile building block for medicinal chemistry and synthetic organic applications. The molecule combines a bromo group for palladium-catalyzed cross-coupling and a hydroxymethyl function amenable to oxidation, protection, or derivatization. Its stability under standard bench conditions and compatibility with diverse functional groups facilitate efficient synthesis of complex aromatic scaffolds.

Synthesis

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References
- Hazlet,S.E. et al. Journal of Organic Chemistry, 1964 , vol. 29, p. 2034 - 2036
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  90326-62-8
References
- Hazlet,S.E. et al. Journal of Organic Chemistry, 1964 , vol. 29, p. 2034 - 2036

Safety Information

Download SDS

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 46.53
LogP 1.728
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-bromo-4-(hydroxymethyl)benzoate

CAS No. 90326-62-8

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