Z-Dimethomorph

Base Information

• Chemical Name: Z-Dimethomorph
• CAS No.: 113210-98-3
• Molecular Formula: C21H22ClNO4
• Molecular Weight: 387.85700
• European Community (EC) Number: 404-200-2,600-969-5
• UNII: 37V7980RBV
• DSSTox Substance ID: DTXSID101017883
• Wikipedia: Dimethomorph
• Wikidata: Q27156817
• Mol file: 113210-98-3.mol

Synonyms:4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl)morpholine;dimethomorph;dimethomorph, (E)-;dimethomorph, (E)-isomer;dimethomorph, (Z)-;dimethomorph, (Z)-isomer

Chemical Property of Z-Dimethomorph

Chemical Property:

• PSA: 48.00000
• LogP: 3.58560
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 387.1237359
• Heavy Atom Count: 27
• Complexity: 512

Purity/Quality:

99% ^*data from raw suppliers

(Z)-Dimethomorph ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)/C(=C\C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC

Technology Process of Z-Dimethomorph

There total 14 articles about Z-Dimethomorph 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: 85.0%

→ dimethomorph (110488-70-5,113210-98-3)

Guidance literature:

Reference yield: 82.2%

4-acetylmorpholine (1696-20-4) + tert-Amyl alcohol (75-85-4) + sodium tert-pentoxide (14593-46-5) + 4-chloro-3',4'-dimethoxy benzophenone (116412-83-0) → dimethomorph (110488-70-5,113210-98-3)

Guidance literature:

With carbon dioxide; In 5,5-dimethyl-1,3-cyclohexadiene; di-isopropyl ether; paraffin oil;

Reference yield: 73.0%

4-morpholinecarboxaldehyde (4394-85-8) + C16H15ClO2 → dimethomorph (110488-70-5,113210-98-3)

Guidance literature:

With 1,2,3-trimethoxybenzene; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; potassium carbonate; bis-[(trifluoroacetoxy)iodo]benzene; at 20 ℃; Irradiation; Inert atmosphere;

DOI:10.1021/acs.orglett.9b03870

upstream raw materials:

4-acetylmorpholine

4-chloro-3',4'-dimethoxy benzophenone

benzene-1,2-diol

4-morpholinecarboxaldehyde

Refernces

• 1、 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". supporting information. p. 9929 - 9933. Retrieved 2019/12/24.
• 2、 -. "FUNGICIDAL MIXTURES". . . Retrieved 2012/04/18.