Methyl 5-(2-bromoacetyl)-2-hydroxybenzoate

HCID 11601501CAS 36256-45-8
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cc(C(=O)CBr)ccc1O
InChIKey
YRPHNSODVHXAOP-UHFFFAOYSA-N
Molecular formula
C10H9BrO4
Average molar mass
273.08 g/mol
Monoisotopic mass
271.96842087

Names & identifiers

Preferred name
Methyl 5-(2-bromoacetyl)-2-hydroxybenzoate
IUPAC
methyl 5-(2-bromoacetyl)-2-hydroxybenzoate
English name
Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester
Molecular formula
C10H9BrO4
Molecular weight
273.08

Names & synonyms

Methyl 5-(2-bromoacetyl)-2-hydroxybenzoate36256-45-8DTXSID70469286RefChem:355903DTXCID20420105MFCD09833483Benzoic acid, 5-(2-bromoacetyl)-2-hydroxy-, methyl esterEA9Q363KRAmethyl 5-bromoacetylsalicylateBenzoic acid, 5-(bromoacetyl)-2-hydroxy-, methyl esters11909methyl 5-(bromoacetyl)-2-hydroxybenzoate
Show more names
Labetalol Impurity 8Labetolol impurity 8Methyl 5-(bromoacetyl)salicylate3-CarboMethoxy-4-hydroxy-α-broMoacetMetribuzin Impurity 7 (Isomethiozin)5-(Bromoacetyl)salicylic acid methyl ester3-CarboMethoxy-4-hydroxy-α-broMoacetophenone
3-Carbomethoxy-4-hydroxy-a-bromoacetophenone5-(2-Bromoacetyl)-2-hydroxybenzoic Acid Methyl Ester; 5-(Bromoacetyl)salicylic Acid Methyl Ester; Methyl 5-(2-Bromoacetyl)-2-hydroxybenzoate; Methyl 5-(Bromoacetyl)-2-hydroxybenzoate; Methyl 5-(Bromoacetyl)salicylateAMY41499Methyl5-(2-broMMethyl 5-(2-bromoacetyl)-2-hydroxy-benzoateA8543135-(2-Bromoacetyl)-2-hydroxybenzoic acid methyl esterSCHEMBL6029423

Database identifiers

CAS
36256-45-8
PubChem CID
11601501
DTXSID
DTXSID70469286
UNII
EA9Q363KRA

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

Melting point
91 · 91-92℃
Boiling point
390.2 · 390.2±32.0 °C(Predicted)
Density
1.601 · 1.601±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid

Chemistry & industry

Applications

Uses3-Carbomethoxy-4-hydroxy-α-bromoacetophenone, can be used for the synthesis of carboxyarylindoles and benzofurans as nonsteroidal antiinflammatory agents.

Preparation methods

PreparationObtained by reaction of dioxane dibromide with methyl 5-acetyl-2-hydroxybenzoate in dioxane/ethyl ether mixture (76%).

Upstream & downstream products

Suppliers50 total

上海达立康医药科技有限公司18658316824
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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