Fenoxaprop-P-ethyl

Base Information

• Chemical Name: Fenoxaprop-P-ethyl
• CAS No.: 71283-80-2
• Molecular Formula: C₁₈H₁₆ClNO₅
• Molecular Weight: 361.782
• European Community (EC) Number: 615-273-7,682-517-7
• UNII: 54CSW9U08K
• DSSTox Substance ID: DTXSID2034598
• Nikkaji Number: J285.366C
• Wikidata: Q16064370
• ChEMBL ID: CHEMBL2251729
• Mol file: 71283-80-2.mol

Synonyms:Fenoxaprop-P-ethyl;71283-80-2;Ethyl (2R)-(+)-2-[4-(6-chlorobenzoxazol-2-yloxy)phenoxy]propionate;Fenoxaprop P-ethyl;ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate;UNII-54CSW9U08K;54CSW9U08K;Fenoxaprop-P-ethyl [ISO:BSI];DTXSID2034598;Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, ethyl ester, (2R)-;C18-H16-Cl-N-O5;PROPANOIC ACID, 2-(4-((6-CHLORO-2-BENZOXAZOLYL)OXY)PHENOXY)-, ETHYL ESTER, (R)-;Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-;Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)-;RICESTAR;PUMA UNIVERSAL;FURORE SUPER;PUMA SUPER;SUPER WHIP;WHIP SUPER;WHIP S;SCHEMBL54125;(R)-ETHYL FENOXAPROP;WHIP 360;FENOXAPROP-P ETHYL ESTER;CHEMBL2251729;DTXCID0014598;R-FENOXAPROP-ETHYL [MI];FENOXAPROP-P-ETHYL [ISO];(+)-(R)-FENOXAPROP-ETHYL;HY-B2013;Tox21_301569;MFCD01310637;AKOS015994777;CS-5199;HOE-046360;KS-5121;NCGC00255428-01;CAS-71283-80-2;D95951;A837141;Fenoxaprop-P-ethyl 100 microg/mL in Acetonitrile;Fenoxaprop-P-ethyl, PESTANAL(R), analytical standard;Q16064370;Ethyl (2R)-(+)-2-[4-(6-chlorobenzoxazol-2-yloxy)phenoxy]propionate, 95%;ETHYL (2R)-2-(4-(6-CHLORO-2-BENZOXAZOLYLOXY)PHENOXY)PROPIONATE;ethyl (2R)-2-[4-[(6-chloranyl-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate;(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid ethyl ester

Chemical Property of Fenoxaprop-P-ethyl

Chemical Property:

• Vapor Pressure: 3.71E-11mmHg at 25°C
• Melting Point: 79-84°C (lit.)
• Refractive Index: 1.62
• Boiling Point: 477.5 °C at 760 mmHg
• PKA: -0.08±0.30(Predicted)
• Flash Point: 242.6 °C
• PSA: 70.79000
• Density: 1.31 g/cm³
• LogP: 4.60390
• Storage Temp.: 0-6°C
• Water Solubility.: 705.4ug/L(temperature not stated)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 361.0717003
• Heavy Atom Count: 25
• Complexity: 443

Purity/Quality:

99% ^*data from raw suppliers

Fenoxaprop P-Ethyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
• Isomeric SMILES: CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
• Uses: Postemergent herbicide.

Technology Process of Fenoxaprop-P-ethyl

There total 10 articles about Fenoxaprop-P-ethyl 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: 91.71%

2,6-dichloro-1,3-benzoxazole (3621-82-7) + (R)-2-(4-hydroxyphenoxy)propionic acid ethyl ester (71301-98-9) → fenoxaprop-p-ethyl (66441-23-4,71283-80-2,113776-20-8,116573-18-3,82110-72-3)

Guidance literature:

(R)-2-(4-hydroxyphenoxy)propionic acid ethyl ester; With N-benzyl-N,N,N-triethylammonium chloride; sodium carbonate; In water; at 60 ℃; for 3h;

2,6-dichloro-1,3-benzoxazole; In acetone; at 70 - 75 ℃; for 3h;

Reference yield: 89.0%

4-(6-chlorobenzo[d]oxazol-2-yloxy)phenol (70217-01-5) + ethyl (S)-2-[[(4-methylphenyl)sulfonyl]oxy]propanoate (57057-80-4) → fenoxaprop-p-ethyl (66441-23-4,71283-80-2,113776-20-8,116573-18-3,82110-72-3)

Guidance literature:

With potassium carbonate; In cyclohexane; for 12h; Heating / reflux;

Reference yield: 89.0%

4-(6-chlorobenzo[d]oxazol-2-yloxy)phenol (70217-01-5) + (R)-ethyl O-bezenesulfonyl lactate (83261-05-6) → fenoxaprop-p-ethyl (66441-23-4,71283-80-2,113776-20-8,116573-18-3,82110-72-3)

Guidance literature:

With potassium carbonate; In cyclohexane; for 12h; Heating / reflux;

upstream raw materials:

2,6-dichloro-1,3-benzoxazole

(R)-2-(4-hydroxyphenoxy)propionic acid ethyl ester

4-(6-chlorobenzo[d]oxazol-2-yloxy)phenol

(R)-ethyl O-bezenesulfonyl lactate

Downstream raw materials:

(R)-2-(4-hydroxyphenoxy)propionic acid ethyl ester

6-chlorobenzo[d]oxazol-2(3H)-one

(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide

Refernces

• 1、 -. "Method for synthesizing herbicide fenoxaprop-P-ethyl (by machine translation)". Paragraph 0021-0040. . Retrieved 2020/10/14.
• 2、 -. "PROCESS FOR PREPARING (R)-ARYLOXYPROPIONIC ACID ESTER DERIVATIVES". Page 19. . Retrieved 2008/06/13.