Dichlorprop-P

Base Information

• Chemical Name: Dichlorprop-P
• CAS No.: 15165-67-0
• Molecular Formula: C9H8 Cl2 O3
• Molecular Weight: 235.067
• Hs Code.: 2918990090
• European Community (EC) Number: 403-980-1
• UNII: 0UD1MQP96O
• DSSTox Substance ID: DTXSID0034851
• Nikkaji Number: J293.375F
• Wikidata: Q27145258
• Metabolomics Workbench ID: 143672
• ChEMBL ID: CHEMBL2252703
• Mol file: 15165-67-0.mol

Synonyms:Dichlorprop-P;15165-67-0;(R)-2-(2,4-Dichlorophenoxy)propanoic acid;(R)-Dichlorprop;(+)-Dichlorprop;(2R)-2-(2,4-dichlorophenoxy)propanoic acid;Optica DP;Dichlorprop, D-;Propanoic acid, 2-(2,4-dichlorophenoxy)-, (2R)-;(R)-(+)-2-(2,4-Dichlorophenoxy)propionic acid;(+)-2,4-DP;Dichlorprop-P [ISO:BSI];(R)-2-(2,4-dichlorophenoxy)propionic acid;UNII-0UD1MQP96O;Propanoic acid, 2-(2,4-dichlorophenoxy)-, (R)-;BRN 3203102;Propionic acid, 2-(2,4-dichlorophenoxy)-, (+)-;0UD1MQP96O;DTXSID0034851;CHEBI:75373;(+)-2-(2,4-dichlorophenoxy)propanoic acid;(+)-2-(2,4-dichlorophenoxy)propionic acid;EC 403-980-1;R-(+)-2-(2,4-dichlorophenoxy)propionic acid;4-06-00-00923 (Beilstein Handbook Reference);D(+)-Dichlorprop;Dichloroprop-P;(R)-(2,4-dichlorophenoxy)propanoate;D-dichlorprop;Dichlorprop P;FTV;CORASIL;(R)-(+)-dichlorprop;(R)-DCPP;DICHLORPROP-P [ISO];SCHEMBL55175;DICHLORPROP, (+)-;CHEMBL2252703;DTXCID8014851;Tox21_303875;MFCD00144036;DICHLORPROP R-(+)-FORM [MI];DS-9106;NCGC00357008-01;CAS-15165-67-0;LS-121351;CS-0158216;Dichlorprop-P 100 microg/mL in Acetonitrile;(2R)-2-(2,4-dichlorophenoxy)propionic acid;C20685;C72877;(2R)-(+)-2-(2,4-dichlorophenoxy)propanoic acid;(2R)-(+)-2-(2,4-dichlorophenoxy)propionic acid;A884073;Dichloroprop-P, PESTANAL(R), analytical standard;Q27145258

Chemical Property of Dichlorprop-P

Chemical Property:

• Appearance/Colour: liquid
• Melting Point: 124°
• Boiling Point: 348.3°Cat760mmHg
• PKA: 3.03±0.10(Predicted)
• Flash Point: 164.5°C
• PSA: 46.53000
• Density: 1.421g/cm³
• LogP: 2.84530
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.9850495
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

99.9% ^*data from raw suppliers

Dichloropropsolution ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,F
• Statements: 22-38-41-43-36-20/21/22-11
• Safety Statements: 24-26-37/39-36-16-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Chlorophenoxy
• Canonical SMILES: CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
• Isomeric SMILES: C[C@H](C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
• Uses: Herbicide.

Technology Process of Dichlorprop-P

There total 39 articles about Dichlorprop-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: 99.0%

(R)-(+)-ethyl-2-(2,4-dichlorophenoxy)propanoate → (R)-dichlorprop (120-36-5,7547-66-2,15165-69-2,15165-67-0)

Guidance literature:

With water; potassium hydroxide; In ethanol; at 20 ℃; for 5h;

Reference yield: 86.0%

(R)-di(naphthalen-1-yl)methyl-2-(2,4-dichlorophenoxy)propanoate → (R)-dichlorprop (120-36-5,7547-66-2,15165-69-2,15165-67-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; ethanol; at 20 ℃; for 18h; Schlenk technique;

DOI:10.1021/acs.orglett.0c00748

Reference yield: 62.0%

(R)-(+)-Methyl 2-(2,4-dichlorophenoxy)propionate (122674-96-8) → (R)-dichlorprop (120-36-5,7547-66-2,15165-69-2,15165-67-0)

Guidance literature:

With potassium carbonate; In methanol; water; for 2h; Reflux;

DOI:10.1371/journal.pone.0213552

upstream raw materials:

2-(2,4-dichlorophenoxy)propanoic acid methyl ester

sodium 2,4-dichlorophenolate

n-butyl 2-(2,4-dichlorophenoxy)propanoate

brucine

Downstream raw materials:

(R)-2-(2,4-Dichloro-phenoxy)-propionic acid 1-methyl-heptyl ester

(R)-2-(2,4-Dichloro-phenoxy)-propionic acid 3-chloro-1-phenyl-propyl ester

(R)-2-(2,4-dichlorophenoxy)propionyl chloride

5'-[2(R)-(2,4-dichlorophenoxy)propionamido]-2',5'-dideoxy-5-ethyluridine

Refernces

• 1、 Nakagita, Tomoya,Matsuya, Takumi,Narukawa, Masataka,Misaka, Takumi,Kobayashi, Takuya,Ishida, Akiko,Hashimoto, Makoto,Hirokawa, Takatsugu. "Structural insights into the differences among lactisole derivatives in inhibitory mechanisms against the human sweet taste receptor". . . Retrieved 2019/04/13.
• 2、 Williams, John D.,Torhan, Matthew C.,Neelagiri, Venugopal R.,Brown, Carson,Bowlin, Nicholas O.,Di, Ming,McCarthy, Courtney T.,Aiello, Daniel,Peet, Norton P.,Bowlin, Terry L.,Moir, Donald T.. "Synthesis and structure-activity relationships of novel phenoxyacetamide inhibitors of the Pseudomonas aeruginosa type III secretion system (T3SS)". . p. 1027 - 1043. Retrieved 2015/03/04.