2,6-Dimethoxybenzoyl chloride

Base Information

• Chemical Name: 2,6-Dimethoxybenzoyl chloride
• CAS No.: 1989-53-3
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 29189990
• European Community (EC) Number: 217-868-3
• UNII: 9VD6YG0B0C
• DSSTox Substance ID: DTXSID1062099
• Nikkaji Number: J32.751D
• Wikidata: Q72467688
• Mol file: 1989-53-3.mol

Synonyms:2,6-Dimethoxybenzoyl chloride;1989-53-3;Benzoyl chloride, 2,6-dimethoxy-;2,6-Dimethoxybenzoic acid chloride;9VD6YG0B0C;EINECS 217-868-3;UNII-9VD6YG0B0C;2,6dimethoxybenzoyl chloride;2,6-Dimethoxybenzoylchloride;SCHEMBL104667;2,6-dimethoxylbenzoyl chloride;2,6-dimethoxy benzoyl chloride;2,6-Dimethoxy-benzoyl chloride;DTXSID1062099;AMY14508;STR03400;AKOS000276273;FT-0633955;W-107663;2,6-Dimethoxybenzoyl chloride, 80%, technical grade;F0001-0708

Chemical Property of 2,6-Dimethoxybenzoyl chloride

Chemical Property:

• Appearance/Colour: Solid
• Vapor Pressure: 0.000757mmHg at 25°C
• Melting Point: 64-66 °C(lit.)
• Refractive Index: 1.52
• Boiling Point: 306.7 °C at 760 mmHg
• Flash Point: 134.1 °C
• PSA: 35.53000
• Density: 1.224 g/cm³
• LogP: 2.08280
• Sensitive.: Moisture Sensitive
• XLogP3: 1.6
• 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%min ^*data from raw suppliers

2,6-Dimethoxybenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)Cl
• Uses: 2,6-Dimethoxybenzoyl chloride has been used in the preparation of:2,6-dimethoxyphenylpenicillindidechloro-OO-dimethylpyoluteorin

Technology Process of 2,6-Dimethoxybenzoyl chloride

There total 5 articles about 2,6-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: 99.0%

2-6-dimethoxybenzoic acid (1466-76-8) → 2,6-dimethoxybenzoyl chloride (1989-53-3)

Guidance literature:

With thionyl chloride; at 50 ℃; for 2h;

DOI:10.1016/j.chembiol.2020.03.008

Reference yield:

(trichloromethyl)mesitylene (707-74-4) + 2-6-dimethoxybenzoic acid (1466-76-8) → mesitylene-2-carboxylic acid chloride (938-18-1) + 2,6-dimethoxybenzoyl chloride (1989-53-3)

Guidance literature:

With iron; at 100 - 120 ℃; for 4h; Inert atmosphere;

Reference yield:

pet + 2-6-dimethoxybenzoic acid (1466-76-8) → 2,6-dimethoxybenzoyl chloride (1989-53-3)

Guidance literature:

With thionyl chloride; In toluene;

upstream raw materials:

2-6-dimethoxybenzoic acid

thionyl chloride

(trichloromethyl)mesitylene

Downstream raw materials:

2-<2',6'-dimethoxybenzoyl>pyrrole

3-<2',6'-dimethoxybenzoyl>pyrrole

bis(2-phenylpropyl)-(2,6-dimethoxybenzoyl)-phosphine oxide

2,6-dimethoxy-N-phenylbenzamide

Refernces

• 1、 Tosa, Hideki,Iinuma, Munekazu,Murakami, Koh-Ichi,Ito, Tetsuro,Tanaka, Toshiyuki,Chelladurai, Veliah,Riswan, Soedarsono. "Three xanthones from Poeciloneuron pauciflorum and Mammea acuminata". . p. 133 - 136. Retrieved 1997.
• 2、 -. "TRPV3 small molecule allosteric inhibitor and preparation method thereof". Paragraph 0047; 0048-0051. . Retrieved 2021/03/13.
• 3、 Dinh, Long P.,Harris, Nekoda W.,Jacoby, Seth A.,Semsey, Rebecca Y.,Swann, William A.,Tran, Ryan Q.,Williamson, Savannah N.,Yet, Larry. "Synthesis of 3-aryl-1-phosphinoimidazo[1,5-a]pyridine ligands for use in Suzuki-Miyaura cross-coupling reactions". . p. 28347 - 28351. Retrieved 2021/09/15.