4-Chloro-3',4'-dimethoxybenzophenone

Base Information

• Chemical Name: 4-Chloro-3',4'-dimethoxybenzophenone
• CAS No.: 116412-83-0
• Molecular Formula: C15H13 Cl O3
• Molecular Weight: 276.719
• Hs Code.: 2914700090
• European Community (EC) Number: 404-610-1
• DSSTox Substance ID: DTXSID60355386
• Nikkaji Number: J1.053.258B
• Wikidata: Q72518599
• ChEMBL ID: CHEMBL1169997
• Mol file: 116412-83-0.mol

Synonyms:116412-83-0;4-Chloro-3',4'-dimethoxybenzophenone;(4-Chlorophenyl)(3,4-dimethoxyphenyl)methanone;(4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone;4'-Chloro-3,4-dimethoxybenzophenone;MFCD02127307;4-chloro-3',4'-dimethoxy benzophenone;EC 404-610-1;Methanone, (4-chlorophenyl)(3,4-dimethoxyphenyl)-;Cambridge id 6869048;Oprea1_261096;SCHEMBL6839373;CHEMBL1169997;AMY6747;DTXSID60355386;AKOS004909488;4-Chloro-3,4/'-DimethoxyBenzophenone;4-Chloro-3', 4'-dimethoxybenzophenone;4-Chloro-3/',4/'-dimethoxybenzophenone;SY019498;CS-0362959;FT-0742190;F86987;J-003435;(4-Chloro-phenyl)-(3,4-dimethoxy-phenyl)-methanone;4-Chloro-3 inverted exclamation mark ,4 inverted exclamation mark -dimethoxybenzophenone

Chemical Property of 4-Chloro-3',4'-dimethoxybenzophenone

Chemical Property:

• Melting Point: 111-112 °C(Solv: ethanol (64-17-5))
• Boiling Point: 414.5°Cat760mmHg
• Flash Point: 167.2°C
• PSA: 35.53000
• Density: 1.216g/cm³
• LogP: 3.58820
• Storage Temp.: 2-8°C
• Solubility.: Chloroform; Dichloromethane; DMSO; Ethyl Acetate; Methanol
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 276.0553220
• Heavy Atom Count: 19
• Complexity: 300

Purity/Quality:

99.9% ^*data from raw suppliers

4-Chloro-3',4'-dimethoxybenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)OC
• Uses: 4-Chloro-3'',4''-dimethoxybenzophenone is an intermedioate in the synthesis of Dimethomorph-d8 (D460532), a labelled agricultural fungicide.

Technology Process of 4-Chloro-3',4'-dimethoxybenzophenone

There total 12 articles about 4-Chloro-3',4'-dimethoxybenzophenone 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: 93.0%

1,2-dimethoxybenzene (91-16-7) + 4-chloro-benzoyl chloride (122-01-0) → FeCl3 + 4-chloro-3',4'-dimethoxy benzophenone (116412-83-0)

Guidance literature:

Reference yield: 89.0%

1,2-dimethoxybenzene (91-16-7) + para-chlorobenzoic acid (74-11-3) → 4-chloro-3',4'-dimethoxy benzophenone (116412-83-0)

Guidance literature:

With boron trifluoride diethyl etherate; at 80 - 90 ℃; for 0.05h; chemoselective reaction; Microwave irradiation;

DOI:10.14233/ajchem.2014.17019

Reference yield: 86.0%

3,4-dimethoxy-benzaldehyde (120-14-9) + (4-chlorphenyl)magnesium bromide (873-77-8) → 4-chloro-3',4'-dimethoxy benzophenone (116412-83-0)

Guidance literature:

3,4-dimethoxy-benzaldehyde; (4-chlorphenyl)magnesium bromide; In tetrahydrofuran;

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene; In dichloromethane;

DOI:10.1021/acs.orglett.9b03870

upstream raw materials:

1,2-dimethoxybenzene

4-chloro-benzoyl chloride

1,1,2,2-tetrachloroethane

4-chlorotrichloromethylbenzene

Downstream raw materials:

dimethomorph

dimethomorph

(3,4-dimethoxyphenyl)(4-chlorophenyl)methylamine

isopropyl((2S)-1-(((3,4-dimethoxylphenyl)(4-chlorophenyl)methyl)amino)-3-methyl-1-oxobutan-2-yl)carbamate

Refernces

• 1、 Chen, Wen-Tin,Chou, Shih-Huan,Ho, Wen-Yueh,Hung, Ming-Wei,Lin, Michelle,Lin, Wesley,Lin, Yi-Jyun,Luo, Shun-Yuan,Reddy, Daggula Mallikarjuna,Thul, Mayur,Wu, Hsin-Ru,Wu, Yao-Peng. "Tunable aryl imidazolium recyclable ionic liquid with dual br?nsted-lewis acid as green catalyst for friedel-crafts acylation and thioesterification". . . Retrieved 2020/01/28.
• 2、 Lu, Maojian,Lin, Zhaowei,Chen, Shanyi,Chen, Hongyou,Huang, Mingqiang,Cai, Shunyou. "Visible-Light-Enabled Oxidative Coupling of Alkenes with Dialkylformamides to Access Unsaturated Amides". . p. 9929 - 9933. Retrieved 2019/12/24.