2'-Hydroxy-3'-methoxyacetophenone

HCID 95993CAS 703-98-0
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc(C(C)=O)c1O
InChIKey
VZEOJJIAYZCDPI-UHFFFAOYSA-N
Molecular formula
C9H10O3
Average molar mass
166.17 g/mol
Monoisotopic mass
166.06299418

Names & identifiers

Preferred name
2'-Hydroxy-3'-methoxyacetophenone
IUPAC
1-(2-hydroxy-3-methoxyphenyl)ethanone
English name
1-(2-hydroxy-3-methoxy-phenyl)ethanone
Molecular formula
C9H10O3
Molecular weight
166.17

Names & synonyms

703-98-01-(2-hydroxy-3-methoxyphenyl)ethanone2'-Hydroxy-3'-methoxyacetophenone1-(2-hydroxy-3-methoxyphenyl)ethan-1-oneEthanone, 1-(2-hydroxy-3-methoxyphenyl)-Acetophenone, 2-hydroxy-3'-methoxy-NHU0JK94DRNSC 46634NSC-46634DTXSID502205741-(HYDROXY-3METHOXY PHENYL)ETHANONEACETOPHENONE, 2'-HYDROXY-3'-METHOXY-
Show more names
Resorcinol Impurity 63-(2-hydroxy-3-methoxy-phenyl)ethanone
RefChem:439669DTXCID80143065836-310-52-Hydroxy-3'-methoxyacetophenone1-(2-HYDROXY-3-METHOXY-PHENYL)-ETHANONE1-(2-HYDROXY-3-METHOXY-PHENYL)ETHANONEMFCD12913657Acetylguajacol

Database identifiers

CAS
703-98-0
PubChem CID
95993
DTXSID
DTXSID50220574
UNII
NHU0JK94DR
EC Number
836-310-5
Nikkaji
J47.694C

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
54 °C · 54 °C
Boiling point
247.2 · 247.2±20.0 °C(Predicted)
Density
1.158 · 1.158±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H319
Precautionary statements
P305+P351+P338

Chemistry & industry

Applications

Uses2''-Hydroxy-3''-methoxyacetophenone, is an intermediate used for he synthesis of various chemical compounds. It can be used for the synthesis of 4''-Hydroxy-3-methoxyflavones with potent antipicornavirus activity.

Preparation methods

PreparationPreparation from 2,3-dimethoxybenzonitrile and methyl-magnesium iodide in refluxing ethyl ether (Grignard reaction) (75%).

Upstream & downstream products

Suppliers50 total

常州佳德医药科技有限公司18006124028
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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