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4-Methoxyphenylacetyl chloride
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Name

4-Methoxyphenylacetyl chloride

 EINECS -0
CAS No. 4693-91-8 Density 1.192 g/cm3
PSA 26.30000 LogP 2.00310
Solubility N/A Melting Point N/A
Formula C9H9ClO2 Boiling Point 280.1 °C at 760 mmHg
Molecular Weight 184.622 Flash Point 100 °C
Transport Information UN 3265 Appearance colorless liquid
Safety 26-36/37/39-45 Risk Codes 14-34-37
Molecular Structure Molecular Structure of 4693-91-8 (4-Methoxyphenylacetyl chloride) Hazard Symbols CorrosiveC
Synonyms

Acetylchloride, (p-methoxyphenyl)- (6CI,7CI,8CI);(4-Methoxyphenyl)acetyl chloride;(p-Methoxyphenyl)acetyl chloride;2-(4-Methoxyphenyl)acetyl chloride;4-Methoxybenzeneacetyl chloride;p-Anisylacetyl chloride;p-Methoxyphenacetylchloride;

Article Data 119

4-Methoxyphenylacetyl chloride Synthetic route

104-01-8

4-Methoxyphenylacetic acid

4693-91-8

4-methoxyphenyl-acetic chloride

Conditions
ConditionsYield
With thionyl chloride In toluene Heating;100%
With thionyl chloride In dichloromethane100%
With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 23℃;100%
2746-25-0

p-Methoxybenzyl bromide

A

4693-91-8

4-methoxyphenyl-acetic chloride

B

di-p-tolyl cadmium

di-p-tolyl cadmium

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: AcOH; aq. NaOH
2: thionyl chloride
View Scheme
104-47-2

p-methoxybenzylnitrile

A

4693-91-8

4-methoxyphenyl-acetic chloride

B

di-p-tolyl cadmium

di-p-tolyl cadmium

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: AcOH; aq. NaOH
2: thionyl chloride
View Scheme
105-13-5

4-Methoxybenzyl alcohol

A

4693-91-8

4-methoxyphenyl-acetic chloride

B

di-p-tolyl cadmium

di-p-tolyl cadmium

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: PBr3 / CH2Cl2
2: AcOH; aq. NaOH
3: thionyl chloride
View Scheme
872-50-4

1-methyl-pyrrolidin-2-one

104-01-8

4-Methoxyphenylacetic acid

4693-91-8

4-methoxyphenyl-acetic chloride

Conditions
ConditionsYield
With thionyl chloride
156-38-7

4-hydroxyphenylacetate

4693-91-8

4-methoxyphenyl-acetic chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / water / 12 h / 40 - 45 °C
2: thionyl chloride / 5 h / 60 °C
View Scheme
104-01-8

4-Methoxyphenylacetic acid

79-04-9

chloroacetyl chloride

4693-91-8

4-methoxyphenyl-acetic chloride

Conditions
ConditionsYield
In dichloromethane; N,N-dimethyl-formamide at 30℃; for 2h; Inert atmosphere;
6638-79-5

N,O-dimethylhydroxylamine*hydrochloride

4693-91-8

4-methoxyphenyl-acetic chloride

267884-96-8

N-methoxy-2-(4-methoxyphenyl)-N-methylethanamide

Conditions
ConditionsYield
With pyridine In dichloromethane at 20℃; for 1h;100%
With pyridine In dichloromethane at 20℃; for 1h;88%
With pyridine; dmap; sodium hydrogencarbonate In diethyl ether
With pyridine In dichloromethane at 0℃; for 1h;
401788-86-1

(S)-9-Trityloxy-nonan-4-ol

4693-91-8

4-methoxyphenyl-acetic chloride

(4-Methoxy-phenyl)-acetic acid (S)-1-propyl-6-trityloxy-hexyl ester

Conditions
ConditionsYield
With potassium tert-butylate; tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide100%
99-57-0

2-hydroxy-5-nitroaniline

4693-91-8

4-methoxyphenyl-acetic chloride

N-(2-hydroxy-5-nitro-phenyl)-2-(4-methoxy-phenyl)-acetamide

Conditions
ConditionsYield
With pyridine In tetrahydrofuran at 0 - 20℃; for 2h;100%

4-Methoxyphenylacetyl chloride Specification

This chemical is called Benzenacetyl chloride, 4-methoxy-, and its systematic name is (4-methoxyphenyl)acetyl chloride. With the molecular formula of C9H9ClO2, its molecular weight is 184.62. The CAS registry number of this chemical is 4693-91-8. Additionally, its product categories are Aromatic Phenylacetic Acids and Derivatives; Acid Halides; Carbonyl Compounds; Organic Building Blocks. It should be stored at the temperature of 2-8°C.

Other characteristics of the Benzenacetyl chloride, 4-methoxy- can be summarised as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.31; (6)ACD/BCF (pH 7.4): 25.31; (7)ACD/KOC (pH 5.5): 351.67; (8)ACD/KOC (pH 7.4): 351.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 47.35 cm3; (15)Molar Volume: 154.7 cm3; (16)Polarizability: 18.77×10-24cm3; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.192 g/cm3; (19)Flash Point: 100 °C; (20)Enthalpy of Vaporization: 51.88 kJ/mol; (21)Boiling Point: 280.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00387 mmHg at 25°C. 

Production method of this chemical: The Benzenacetyl chloride, 4-methoxy- could be obtained by the reactant of (4-methoxy-phenyl)-acetic acid. This reaction needs the reagent of SOCl2, and the solvent of CH2Cl2. The other condition is heating.

Uses of this chemical: The Benzenacetyl chloride, 4-methoxy- could react with methoxybenzene, and obtain the 4,4'-dimethoxy-deoxybenzoin. This reaction needs the reagent of , and the solvent of AlCl3. The yield is 67 %. In addition, this reaction should be taken for 2 hours with the heating.

 

When you are using this chemical, please be cautious about it as the following: This chemical reacts violently with water and causes burns. It's irritating to respiratory system. Wear suitable protective clothing, gloves and eye/face protection if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: ClC(=O)Cc1ccc(OC)cc1
2.InChI: InChI=1/C9H9ClO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3
3.InChIKey: CXJOONIFSVSFAD-UHFFFAOYAG

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