Mecoprop-P

Base Information

• Chemical Name: Mecoprop-P
• CAS No.: 16484-77-8
• Deprecated CAS: 94596-45-9
• Molecular Formula: C10H11 Cl O3
• Molecular Weight: 214.649
• European Community (EC) Number: 240-539-0
• UNII: 455R9M917H
• DSSTox Substance ID: DTXSID3032670
• Nikkaji Number: J35.365E
• Wikidata: Q27145490
• Metabolomics Workbench ID: 143659
• ChEMBL ID: CHEMBL2145254
• Mol file: 16484-77-8.mol

Synonyms:Mecoprop-P;16484-77-8;(R)-Mecoprop;(2R)-2-(4-chloro-2-methylphenoxy)propanoic acid;d-Mecoprop;Duplosan KV;(+)-Mcpp;Mecoprop-P [ISO];Mecoprop, D-;2M-4XP;D(+)-Mecoprop;(R)-2-(4-Chloro-2-methylphenoxy)propanoic acid;(R)-2-(4-Chloro-2-methylphenoxy)propionic acid;EINECS 240-539-0;(R)-2-(4-chloro-o-tolyloxy)propionic acid;DTXSID3032670;UNII-455R9M917H;CHEBI:75703;455R9M917H;Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, (2R)-;Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, (R)-;(R)-2-(4-Chloro-2-methylphenoxy)propionate;EC 240-539-0;(+)-(R)-2-(4-chloro-2-methylphenoxy)propionic acid;Propionic acid, 2-((4-chloro-o-tolyl)oxy)-, (+)-;Mecoprop P;IPPONJIME EKIZAI;(+)-2-(4-Chloro-2-methylphenoxy)propionic acid;(+)-MECOPROP;(R)-MCPP;SCHEMBL54983;MECOPROP, (+)-;(R)-(+)-MECOPROP;CHEMBL2145254;DTXCID1012670;MECOPROP (+)-FORM [MI];Tox21_303709;NCGC00163806-01;NCGC00357025-01;Mecoprop-P 100 microg/mL in Acetonitrile;CAS-16484-77-8;LS-124602;CS-0251204;C18608;Mecoprop-P, PESTANAL(R), analytical standard;(+)-2-(4-chloro-2-methylphenoxy)propanoic acid;EN300-5398651;(2R)-2-(4-chloro-2-methylphenoxy)propionic acid;(+)-2-(4-CHLORO-O-TOLYLOXY)PROPIONIC ACID;J-010167;Propionic acid, 2-[(4-chloro-o-tolyl)oxy]-, ()-;Propionic acid, (R)-2-(4-chloro-2-methylphenoxy)-;Q27145490;Z1269231761;Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, (R)- (9CI)

Chemical Property of Mecoprop-P

Chemical Property:

• Vapor Pressure: 0.001Pa at 25℃
• Refractive Index: 1.5390 (estimate)
• Boiling Point: 331.9°Cat760mmHg
• Flash Point: 154.5°C
• Density: 1.265g/cm³
• Storage Temp.: 0-6°C
• Water Solubility.: 880mg/L at 20℃
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.0396719
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

99.9% ^*data from raw suppliers

Mecoprop-P ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-41-51/53
• Safety Statements: 13-26-37/39-46-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Chlorophenoxy
• Canonical SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O
• Isomeric SMILES: CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)O
• Uses: Mecoprop-P has been used as a reference standard for identification of mecoprop enantiomer elution using chiral GC columns. It has also been used as a pesticide in a comparative study to detect the pesticide contamination of indoor air and human hair samples.

Technology Process of Mecoprop-P

There total 15 articles about Mecoprop-P 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: 45.0%

(R)-2-(4-chloro-2-methylphenoxy)propionic acid ethyl ester (66513-22-2,40390-11-2) → (R)-Mecoprop (16484-77-8,18221-59-5,7085-19-0)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1016/S0014-827X(01)01041-2

Reference yield:

2-[4-chloro-2-methylphenoxy]propionic acid methyl ester (115304-95-5,2786-19-8) → (R)-Mecoprop (16484-77-8,18221-59-5,7085-19-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; for 24h; Heating / reflux;

Reference yield:

(RS)-2-(4-chloro-o-tolyloxy)propionic acid (93-65-2,18221-59-5,7085-19-0) → (R)-Mecoprop (16484-77-8,18221-59-5,7085-19-0) + (S)-mecoprop (25333-13-5,18221-59-5,7085-19-0)

Guidance literature:

With highly sulphated α-cyclodextrin; In ammonium formate aq. buffer; Resolution of racemate; Capillary zone electrophoresis;

DOI:10.1002/jccs.200900167

upstream raw materials:

(RS)-2-(4-chloro-o-tolyloxy)propionic acid

methyl R-2-(4-chloro-2-methylphenoxy)propanoate

(R)-1-(4-pyridinyl)ethanol

2-(4-Chlor-2-methylphenoxy)propionsaeureanhydrid

Downstream raw materials:

(R)-2-methyl-2-(4-chloro-2-methylphenoxy)ethanol

domiphen (+)-(R)-2-(4-chloro-2-methylphenoxy)propionate

3-butyl-1-methylimidazolium (+)-(R)-2-(4-chloro-2-methylphenoxy)-propionate

tetraoctylphosphonium (+)-(R)-2-(4-chloro-2-methylphenoxy)-propionate

Refernces

• 1、 Hellinghausen, Garrett,Lopez, Diego A.,Lee, Jauh T.,Wang, Yadi,Weatherly, Choyce A.,Portillo, Abiud E.,Berthod, Alain,Armstrong, Daniel W.. "Evaluation of the Edman degradation product of vancomycin bonded to core-shell particles as a new HPLC chiral stationary phase". . p. 1067 - 1078. Retrieved 2018/08/01.
• 2、 Malik, Ashok Kumar,Aulakh, Jatinder Singh,Fekete, Agnes,Philippe, Schmitt-Kopplin. "Separation of the phenoxy acid herbicides and their enantiomers by capillary zone electrophoresis in presence of highly sulphated cyclodextrins". experimental part. p. 1163 - 1167. Retrieved 2010/08/20.