CAS No.4693-91-8,4-Methoxyphenylacetyl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4693-91-8
Name:	4-Methoxyphenylacetyl chloride
Article Data:	119

Formula:	C₉H₉ClO₂
Molecular Weight:	184.622
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;
EINECS:	-0
Density:	1.192 g/cm³
Boiling Point:	280.1 °C at 760 mmHg
Flash Point:	100 °C
Appearance:	colorless liquid
Hazard Symbols:	C
Risk Codes:	14-34-37
Safety:	26-36/37/39-45
Transport Information:	UN 3265
PSA:	26.30000
LogP:	2.00310

Synthetic route

: 104-01-8
4-Methoxyphenylacetic acid

: 4693-91-8
4-methoxyphenyl-acetic chloride

Conditions

Conditions	Yield
With thionyl chloride In toluene Heating;	100%
With thionyl chloride In dichloromethane	100%
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With thionyl chloride

: 156-38-7
4-hydroxyphenylacetate

: 4693-91-8
4-methoxyphenyl-acetic chloride

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With potassium tert-butylate; tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide	100%

: 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

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

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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