Fenoxaprop-ethyl

Base Information

• Chemical Name: Fenoxaprop-ethyl
• CAS No.: 66441-23-4
• Deprecated CAS: 82110-72-3,87714-45-2,87714-45-2
• Molecular Formula: C18H16 Cl N O5
• Molecular Weight: 361.782
• Hs Code.: 29349990
• European Community (EC) Number: 266-362-9,622-887-9
• UN Number: 3077
• UNII: 7U20WEM458
• DSSTox Substance ID: DTXSID2032392
• Nikkaji Number: J211.539E
• Wikipedia: Fenoxaprop_ethyl
• Wikidata: Q27095578
• Metabolomics Workbench ID: 67757
• ChEMBL ID: CHEMBL37932
• Mol file: 66441-23-4.mol

Synonyms:ethyl 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)propanoate;ethyl fenoxaprop;fenoxaprop ethyl;fenoxaprop ethyl ester;fenoxaprop-ethyl

Chemical Property of Fenoxaprop-ethyl

Chemical Property:

• Vapor Pressure: 2.79E-09mmHg at 25°C
• Melting Point: 84-85oC
• Refractive Index: 1.587
• Boiling Point: 477.5°Cat760mmHg
• PKA: -0.08±0.30(Predicted)
• Flash Point: 242.6°C
• PSA: 70.79000
• Density: 1.31g/cm³
• LogP: 4.60390
• Storage Temp.: -20°C
• 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
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

PUMA ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N,Xn
• Hazard Codes: Xi,N,Xn
• Statements: 43-50/53-22
• Safety Statements: 24-37-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Other
• Canonical SMILES: CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
• Uses: Fenoxaprop-ethyl is a selective, postemergence herbicide for control of annual and perennial grass weeds in crops such as beans, beets, cotton, groundnuts, potatoes and other vegetables. Fenoxaprop-ethyl is a pesticide.

Technology Process of Fenoxaprop-ethyl

There total 11 articles about Fenoxaprop-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

fenoxaprop

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

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

Refernces

• 1、 -. "Method for synthesizing herbicide fenoxaprop-P-ethyl (by machine translation)". Paragraph 0021-0040. . Retrieved 2020/10/14.
• 2、 Kalhor, Mehdi,Dadras, Akbar,Mobinikhaledi, Akbar,Tajik, Hassan. "A new method for one-pot synthesis of aryloxyphenoxypropionate herbicides using 2,4,6-trichloro-1,3,5-triazine and (n-BU)4NI as a homogeneous catalyst". experimental part. p. 833 - 836. Retrieved 2012/05/04.