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Cas Database |
| Name |
Methyl 5-chloro-2-methoxybenzoate |
EINECS | 251-743-4 |
| CAS No. | 33924-48-0 | Density | 1.229 g/cm3 |
| PSA | 35.53000 | LogP | 2.13520 |
| Solubility | N/A | Melting Point |
150-152 °C |
| Formula | C9H9ClO3 | Boiling Point | 237.5 °C at 760 mmHg |
| Molecular Weight | 200.622 | Flash Point | 120.2 °C |
| Transport Information | N/A | Appearance | White to light yellow crystal powder |
| Safety | 26-37-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
o-Anisicacid, 5-chloro-, methyl ester (8CI);4-Chloro-2-(methoxycarbonyl)anisole;5-Chloro-2-methoxybenzoic acid methyl ester;Methyl 2-methoxy-5-chlorobenzoate; |
Article Data | 13 |
Methyl 5-chloro-2-methoxybenzoate Synthetic route
- 606-45-1
2-methoxybenzoic acid methyl ester
- 33924-48-0
methyl 5-chloro-2-methoxybenzoate
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide; silver hexafluoroantimonate; 1-methylthiotriptycene In 1,2-dichloro-ethane at 20℃; for 2h; Inert atmosphere; Schlenk technique; | 91% |
| With sodium persulfate; tris(bipyridine)ruthenium(II) dichloride hexahydrate; sodium chloride In water; acetonitrile at 25℃; for 15h; Irradiation; | 73 %Spectr. |
- 321-14-2
5-chloro-2-hydroxybenzoic acid
- 77-78-1
dimethyl sulfate
- 33924-48-0
methyl 5-chloro-2-methoxybenzoate
| Conditions | Yield |
|---|---|
| With sodium hydroxide; tetra-(n-butyl)ammonium iodide In dichloromethane; water at 20℃; for 4h; | 46% |
| With sodium hydroxide | |
| With sodium hydroxide; tetrabutylammomium bromide In dichloromethane; water for 4h; Ambient temperature; | |
| Stage #1: 5-chloro-2-hydroxybenzoic acid With sodium hydroxide In water at 37℃; for 0.5h; pH=10; Stage #2: dimethyl sulfate In water for 3h; pH=10; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 55877-79-7
2-methoxy-5-chlorobenzonitrile
- 33924-48-0
methyl 5-chloro-2-methoxybenzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: aqueous-alcoholic KOH-solution 2: hydrogen chloride View Scheme |
- 321-14-2
5-chloro-2-hydroxybenzoic acid
- 33924-48-0
methyl 5-chloro-2-methoxybenzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate; dimethyl sulfate In acetone | 23.10 g (99%) |
- 33924-48-0
methyl 5-chloro-2-methoxybenzoate
| Conditions | Yield |
|---|---|
| With thionyl chloride In N-methyl-acetamide; benzene |
- 321-14-2
5-chloro-2-hydroxybenzoic acid
- 74-88-4
methyl iodide
- 33924-48-0
methyl 5-chloro-2-methoxybenzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 20℃; Reflux; Darkness; |
- 623-12-1
4-chloromethoxybenzene
- 33924-48-0
methyl 5-chloro-2-methoxybenzoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: triisobutylaluminum; 2,2,6,6-tetramethyl-piperidine; n-butyllithium / tetrahydrofuran; hexane / 3 h / -78 - 20 °C 1.2: 3 h / -78 - 20 °C / 760.05 Torr 2.1: toluene; methanol / Inert atmosphere View Scheme |
- 3438-16-2
5-chloro-2-methoxybenzoic acid
- 18107-18-1
diazomethyl-trimethyl-silane
- 33924-48-0
methyl 5-chloro-2-methoxybenzoate
| Conditions | Yield |
|---|---|
| In methanol; toluene Inert atmosphere; | 86.3 mg |
- 33924-48-0
methyl 5-chloro-2-methoxybenzoate
- 33045-52-2
methyl 2-methoxy-5-sulfamoyl-benzoate
| Conditions | Yield |
|---|---|
| With sodium sulfamate; copper(I) bromide In tetrahydrofuran at 50℃; for 10h; Temperature; Reflux; | 96.55% |
| With sodium aminosulfinate; copper(I) bromide In tetrahydrofuran at 40℃; for 18h; Concentration; Temperature; | 96.55% |
| With sodium aminosulfinate; copper(l) chloride In tetrahydrofuran at 40℃; for 8h; Temperature; | 96.55% |
Methyl 5-chloro-2-methoxybenzoate Specification
The CAS register number of Benzoic acid,5-chloro-2-methoxy-, methyl ester is 33924-48-0. It also can be called as Methyl 2-methoxy-5-chlorobenzoate and the systematic name about this chemical is methyl 5-chloro-2-methoxybenzoate. The molecular formula about this chemical is C9H9ClO3 and the molecular weight is 200.62. It belongs to the following product categories which include Aromatic Esters; Benzoic acid; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; C8 to C9; Carbonyl Compounds; Esters and so on.
Physical properties about Benzoic acid,5-chloro-2-methoxy-, methyl ester are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 77.38; (5)ACD/BCF (pH 7.4): 77.38; (6)ACD/KOC (pH 5.5): 782.51; (7)ACD/KOC (pH 7.4): 782.51; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.519; (12)Molar Refractivity: 49.59 cm3; (13)Molar Volume: 163.2 cm3; (14)Polarizability: 19.66x10-24cm3; (15)Surface Tension: 37.7 dyne/cm; (16)Density: 1.228 g/cm3; (17)Flash Point: 120.2 °C; (18)Enthalpy of Vaporization: 47.43 kJ/mol; (19)Boiling Point: 237.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0447 mmHg at 25 °C.
Uses of Benzoic acid,5-chloro-2-methoxy-, methyl ester: it can be used to produce C17H24ClN3O2*ClH with cyclooctylguanidine sulfate. This reaction will need reagent of Na, HCl and solvent of methanol. The reaction time is 5 hours with ambient temperature. The yield is about 55.4%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable gloves and protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OC)cc1)C(=O)OC
(2)InChI: InChI=1/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3
(3)InChIKey: HPTHYBXMNNGQEF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3
(5)Std. InChIKey: HPTHYBXMNNGQEF-UHFFFAOYSA-N
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