1-Methoxy-2-naphthoic acid

HCID 608722

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 883-21-6
Standard SMILES: COc1c(C(=O)O)ccc2ccccc12
InChIKey: PMJACRPIWSINFF-UHFFFAOYSA-N
Molecular formula: C12H10O3
Average molar mass: 202.21 g/mol
Monoisotopic mass: 202.06299418

Names & identifiers

Preferred name: 1-Methoxy-2-naphthoic acid
IUPAC: 1-methoxynaphthalene-2-carboxylic acid
English name: 1-Methoxy-2-naphthoic acid
Molecular formula: C12H10O3
Molecular weight: 202.21

Names & synonyms

1-Methoxy-2-naphthoic acid883-21-6DTXSID30346009RefChem:433488DTXCID30297082891-114-71-methoxynaphthalene-2-carboxylic acid1-methoxy-2-naphthalenecarboxylic acidMFCD000941692-Naphthalenecarboxylic acid, 1-methoxy-1-Methoxy-2-naphthoic acid #1-Methoxy-2-naphthoic acid, 97%

Show more names

Xanthosine Impurity 31-Methoxy-2-naphthoic acid 97%

AKOS0090761361-methoxy-naphthalene-2-carboxylic acidLS-08565CS-0204700E781351-Methoxy-naphthoic acid1-METHOXY-2-NAPHTHOICACIDFT-0633076

Database identifiers

CAS: 883-21-6
PubChem CID: 608722
DTXSID: DTXSID30346009
EC Number: 891-114-7
Nikkaji: J1.046.217G

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 239

Physicochemical properties

Melting point: 125 · 125-129 °C (lit.)
Boiling point: 358.8 · 358.8±17.0 °C(Predicted)
Density: 1.263 · 1.263±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 4.09 · 4.09±0.30(Predicted)
Appearance: Light brown to gray Solid
InChI: 1S/C12H10O3/c1-15-11-9-5-3-2-4-8(9)6-7-10(11)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey: PMJACRPIWSINFF-UHFFFAOYSA-N
SMILES: COc1c(ccc2ccccc12)C(O)=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Chemistry & industry

Applications · 2 items

Uses1-Methoxy-2-naphthoic acid may be used in the synthesis of 2-(1-methoxy-2-naphthyl)-4,4-dimethyl-2-oxazoline. It may also be used in the synthesis of the following compounds:1-sec-butyl-2-naphthoic acid1-tert-butyl-2-naphthoic acid1-ethyl-2-naphthoic acid1-vinyl-2-naphthoic acid 1-phenyl-2-naphthoic acid1-(2,5-dimethylphenyl)-2-naphthoic acid2′-methoxy-[1,1′-binaphthalene]-2-carboxylic acid

General Description1-Methoxy-2-naphthoic acid can be prepared from 1-methoxynaphthalene. 1-Methoxy-2-naphthoic acid can also be synthesized by reacting potassium tert-butoxide with 1-methoxynaphthalene and butyllithium in the presence of cyclohexane and tetrahydrofuran. It undergoes reduction in the presence of lithium to afford tetrahydronaphthoic acid.