3,4-Dimethoxybenzoyl chloride

Base Information

• Chemical Name: 3,4-Dimethoxybenzoyl chloride
• CAS No.: 3535-37-3
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 29222990
• European Community (EC) Number: 222-568-0
• UNII: D6WDP6K3S2
• DSSTox Substance ID: DTXSID30188840
• Nikkaji Number: J216.180J
• Wikidata: Q72467686
• Mol file: 3535-37-3.mol

Synonyms:3,4-Dimethoxybenzoyl chloride;3535-37-3;Veratroyl chloride;3,4-Dimethoxybenzoylchloride;Benzoyl chloride, 3,4-dimethoxy-;3,4-dimethoxybenzene-1-carbonyl chloride;D6WDP6K3S2;3,4-Dimethoxy-1-benzenecarbonyl chloride;EINECS 222-568-0;Veratroylchlorid;UNII-D6WDP6K3S2;SCHEMBL184025;3,4-dimethyoxybenzoyl chloride;3,4-dimethoxy benzoyl chloride;3,4-dimethoxy-benzoyl chloride;DTXSID30188840;3,4-Dimethoxybenzoic acid chloride;STR04716;MFCD00000674;STL370330;3,4-Dimethoxybenzoyl chloride, 98%;AKOS009097001;D4093;FT-0600858;EN300-24747;A822745;W-106673;F2190-0052

Chemical Property of 3,4-Dimethoxybenzoyl chloride

Chemical Property:

• Appearance/Colour: off-white to grey crystals, flakes or chunks
• Vapor Pressure: 0.00129mmHg at 25°C
• Melting Point: 70-73 °C(lit.)
• Refractive Index: 1.52
• Boiling Point: 298.2 °C at 760 mmHg
• Flash Point: 129.2 °C
• PSA: 35.53000
• Density: 1.224 g/cm³
• LogP: 2.08280
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Toluene
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dimethoxybenzoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)Cl)OC
• Uses: 3,4-Dimethoxybenzoyl Chloride is a benzoyl chloride derivative used in the preparation of a variety of biologically active compounds such as bronchodilators 3,4-Dimethoxybenzoyl chloride has been used in synthesis of:(+)-5-(3,4-dimethoxyphenyl)-4-[[N-[(4S)-2-oxo-4-(phenylmethyl)-2-oxazolidinyl]]carbonyl] oxazole and its enantiomerN-(2,5-dibromophenyl)-3,4-dimethoxybenzamide

Technology Process of 3,4-Dimethoxybenzoyl chloride

There total 14 articles about 3,4-Dimethoxybenzoyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

Veratric acid (93-07-2) → 3,4-dimethoxybenzoic acid chloride (3535-37-3)

Guidance literature:

With pyridine; thionyl chloride; In benzene;

Reference yield: 77.0%

1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → 3,4-dimethoxybenzoic acid chloride (3535-37-3)

Guidance literature:

1-(3,4-dimethoxyphenyl)ethanone; With pyridine; disulfur dichloride; In chlorobenzene; at 20 ℃; for 2h;

With sulfuryl dichloride; In chlorobenzene; at 20 - 132 ℃; for 15.5h; Reagent/catalyst; Temperature;

Reference yield:

1-(3,4-Dimethoxy-benzoyl)-3-methyl-3H-imidazol-1-ium; chloride (93342-78-0) → 1-methyl-1H-imidazole (616-47-7) + 3,4-dimethoxybenzoic acid chloride (3535-37-3)

Guidance literature:

In dichloromethane; at 25 ℃; Rate constant; Equilibrium constant;

upstream raw materials:

Veratric acid

1-(3,4-Dimethoxy-benzoyl)-3-methyl-3H-imidazol-1-ium; chloride

(3,4-dimethoxyphenyl)methanol

thionyl chloride

Downstream raw materials:

2-diazo-1-(3,4-dimethoxyphenyl)ethan-1-one

3,4-dimethoxy-benzoic acid-(1-methyl-[3]piperidyl ester)

2-(3,4-dimethoxy-benzoyl)-1,2-dihydro-isoquinoline-1-carbonitrile

3-oxo-2-veratroyl-butyric acid ethyl ester

Refernces

• 1、 Pugachev, Mikhail V.,Agafonova, Maria N.,Bastrikova, Oksana A.,Gnezdilov, Oleg I.,Nikishova, Tatyana V.,Balakin, Konstantin V.,Shtyrlin, Yurii G.. "Synthesis and antitumor activity of novel pyridoxine-based structural analogs of saccharumoside-B". . p. 1139 - 1150. Retrieved 2021/03/31.
• 2、 Bismuto, Alessandro,Boehm, Philip,Morandi, Bill,Roediger, Sven. "Palladium-Catalyzed Chlorocarbonylation of Aryl (Pseudo)Halides Through In Situ Generation of Carbon Monoxide". supporting information. p. 17887 - 17896. Retrieved 2020/08/19.