3,5-Dimethoxybenzoyl chloride

Base Information

• Chemical Name: 3,5-Dimethoxybenzoyl chloride
• CAS No.: 17213-57-9
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 2918990090
• European Community (EC) Number: 241-256-5
• NSC Number: 156082
• DSSTox Substance ID: DTXSID80938094
• Nikkaji Number: J318.178B
• Wikidata: Q82914344
• Mol file: 17213-57-9.mol

Synonyms:3,5-Dimethoxybenzoyl chloride;17213-57-9;Benzoyl chloride, 3,5-dimethoxy-;3,5-dimethoxybenzoylchloride;3,5-Dimethoxybenzoic acid chloride;EINECS 241-256-5;NSC156082;SCHEMBL24155;3,5-dimethoxy benzoyl chloride;3,5-dimethoxy-benzoyl chloride;AMY765;DTXSID80938094;MFCD00000676;3,5-Dimethoxybenzoyl chloride, 97%;AKOS000280704;NSC 156082;NSC-156082;s11977;3,5-dimethoxy-1-benzenecarbonyl chloride;AS-54551;D2609;FT-0614642;A811378;J-010797

Chemical Property of 3,5-Dimethoxybenzoyl chloride

Chemical Property:

• Appearance/Colour: off-white to light brown crystalline powder
• Vapor Pressure: 0.00296mmHg at 25°C
• Melting Point: 43-46 °C
• Refractive Index: 1.52
• Boiling Point: 284.5 °C at 760 mmHg
• Flash Point: 131.1 °C
• PSA: 35.53000
• Density: 1.224 g/cm³
• LogP: 2.08280
• Sensitive.: Moisture Sensitive
• Water Solubility.: It hydrolyzes in water.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)C(=O)Cl)OC
• Uses: 3,5-Dimethoxybenzoyl chloride was used to study the mechanism and kinetics of solvolysis of 3,4- and 3,5-dimethoxybenzoyl chlorides in various binary solvents. 3,5-Dimethoxybenzoyl chloride undergoes addition reaction with 4,4-dimethyl-2-pentyne in presence of AlCl3 via 1,2- methyl shift. It is used as a chemical and organic intermediate. 3,5-Dimethoxybenzoyl chloride was used to study the mechanism and kinetics of solvolysis of 3,4- and 3,5-dimethoxybenzoyl chlorides in various binary solvents.

Technology Process of 3,5-Dimethoxybenzoyl chloride

There total 11 articles about 3,5-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%

3,5-dimethoxybenzoic acid (1132-21-4) → 3,5-dimethoxybenzoyl chloride (17213-57-9)

Guidance literature:

With thionyl chloride; In tetrahydrofuran; N,N-dimethyl-formamide; at 50 ℃; for 4h;

DOI:10.1007/s11172-015-1203-0

Reference yield: 70.0%

1-benzyl-4-amino-1H-imidazole-5-carboxamide (115377-62-3) → 4-(3,5-dimethoxybenzoylamino)-1-benzyl-5-imidazolecarboxamide (219935-36-1) + 3,5-dimethoxybenzoyl chloride (17213-57-9)

Guidance literature:

Reference yield:

3,5-dimethoxyphenyl trifluoromethanesulfonate (60319-09-7) + butyryl chloride (141-75-3) → 3,5-dimethoxybenzoyl chloride (17213-57-9)

Guidance literature:

With bis(η3-allyl-μ-chloropalladium(II)); N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 100 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.202005891

upstream raw materials:

3,5-dimethoxybenzoic acid

3,5-Dihydroxybenzoic acid

ethyl 3,5-dimethoxybenzoate

azido(3,5-dimethoxyphenyl)methanone

Downstream raw materials:

1-(3,5-dimethoxyphenyl)ethan-1-one

2-diazo-1-(3,5-dimethoxyphenyl)ethanone

2-(3,5-dimethoxy-benzoyl)-3-oxo-butyric acid ethyl ester

(3,5-dimethoxyphenyl)(4-methoxyphenyl)methanone

Refernces

• 1、 Flavell, Robert R.,Liu, Jianbo,Parker, Matthew F. L.,Toste, F. Dean,Wang, Sinan,Wilson, David M.. "Synthesis of N-trifluoromethyl amides from carboxylic acids". supporting information. p. 2245 - 2255. Retrieved 2021/08/12.
• 2、 Venkatesh, Yarra,Chaudhuri, Amrita,Mondal, Saugat,Shah, Sk. Sheriff,Singh, N. D. Pradeep. "Wavelength-Orthogonal Photocleavable Monochromophoric Linker for Sequential Release of Two Different Substrates". . p. 295 - 299. Retrieved 2020/01/02.