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Methyl 2-chlorobenzoate

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CAS:610-96-8
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Methyl 2-chlorobenzoate Basic information
Product Name:Methyl 2-chlorobenzoate
Synonyms:O-CHLOROBENZOIC ACID METHYL ESTER;RARECHEM AL BF 0018;2-chloro-benzoicacimethylester;Benzoic acid, 2-chloro-, methyl ester;Benzoic acid, o-chloro-, methyl ester;METHYL O-CHLOROBENZOATE;METHYL 2-CHLOROBENZOATE;2-CHLOROBENZOIC ACID METHYL ESTER
CAS:610-96-8
MF:C8H7ClO2
MW:170.59
EINECS:210-242-0
Product Categories:C8 to C9;Carbonyl Compounds;Esters;Aromatic Esters;pharmacetical;Benzoic acid;Acids & Esters;Chlorine Compounds
Mol File:610-96-8.mol
Methyl 2-chlorobenzoate Structure
Methyl 2-chlorobenzoate Chemical Properties
Melting point 233-235 °C
Boiling point 233-235 °C
density 1.191 g/mL at 25 °C(lit.)
refractive index 1.5351-1.537
Fp 108 °C
storage temp. Store below +30°C.
form Liquid
color Clear colorless
Specific Gravity1.191
BRN 1364684
InChIInChI=1S/C8H7ClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKeyJAVRNIFMYIJXIE-UHFFFAOYSA-N
SMILESC(OC)(=O)C1=CC=CC=C1Cl
CAS DataBase Reference610-96-8(CAS DataBase Reference)
NIST Chemistry Reference6-Chlorobenzoic acid, methyl ester(610-96-8)
EPA Substance Registry SystemMethyl-2-chlorobenzoate (610-96-8)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 24/25
WGK Germany 3
TSCA TSCA listed
HazardClass IRRITANT
HS Code 29163990
Storage Class10 - Combustible liquids
MSDS Information
ProviderLanguage
ACROS English
ALFA English
Methyl 2-chlorobenzoate Usage And Synthesis
Chemical PropertiesWhite to light yellow crystal powder
UsesMethyl 2-chlorobenzoate may be used in the synthesis of various quinazolinone derivatives. It was used as starting reagent in the synthesis of 2-chlorobenzohydrazide.
General DescriptionMethyl 2-chlorobenzoate, a methyl 2-halobenzoate, is an ester. It can be synthesized from 2-chlorobenzoyl chloride. Its reduction with NaBH4 in diglyme at 162°C affords 2-chlorobenzyl alcohol.
Synthesis

Report I.

Magnets, 1 mmol 1-chloro-2-(methoxymethyl)benzene (170 mg), 20 mg20 mol% AgI/BiVO4 composite and 2 mL ethanol were sequentially added to a 25 mL reaction vial, equipped with a 28 cm diameter oxygen sphere, and a 16 W white-light lamp was equipped at the right side of the vial at a distance of 10 cm, the reaction system The reaction system was reacted under the irradiation of a 16 W white light lamp for 16 h. The reaction solution was extracted, and the combined organic layers were washed three times with saturated brine, dried with anhydrous sodium sulfate, desolvated under reduced pressure, and the residue was processed by column chromatography (ethyl acetate/petroleum ether=1:10) to obtain methyl phthalate in 71% yield (120.4 mg).

Report II,

20 mg Au-Co composite particle loadings (0.1 mol%), 13.8 mg K2CO3 (10 mol%), 142.5 mg o-chlorobenzoic acid methanol (lmmol), and 4 mL of methanol were added sequentially to a pressure kettle with a 25 mL glass liner, and the oxygen was replaced three times and then the pressure was filled up to 0.l MPa. 80 reaction 10h, cooled to room temperature, slowly bleed down the pressure, filtration of catalyst, filtrate spin concentration, residue column chromatography to get a yellowish liquid product methyl phlorobenzoate 159.6mg, yield 90%.

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