4-(Trifluoromethoxy)phenoxyacetyl chloride

Base Information

• Chemical Name: 4-(Trifluoromethoxy)phenoxyacetyl chloride
• CAS No.: 72220-51-0
• Molecular Formula: C9H6ClF3O3
• Molecular Weight: 254.593
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10380466
• Wikidata: Q82170696
• Mol file: 72220-51-0.mol

Synonyms:4-(Trifluoromethoxy)phenoxyacetyl chloride;72220-51-0;2-[4-(trifluoromethoxy)phenoxy]acetyl chloride;4-(Trifluoromethoxy)phenoxyacetylchloride;2-(4-(trifluoromethoxy)phenoxy)acetyl chloride;Acetyl chloride, [4-(trifluoromethoxy)phenoxy]-;SCHEMBL118361;DTXSID10380466;STR07070;XCA22051;MFCD02091505;(4-Trifluoromethoxyphenoxy)-acetyl chloride;(4-Trifluoromethoxy-phenoxy)-acetyl chloride;[4-(Trifluoromethoxy)phenoxy]acetyl chloride

Chemical Property of 4-(Trifluoromethoxy)phenoxyacetyl chloride

Chemical Property:

• Boiling Point: 242.1±35.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.423±0.06 g/cm3(Predicted)
• LogP: 2.72940
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 253.9957562
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

4-(Trifluoromethoxy)phenoxyacetyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCC(=O)Cl)OC(F)(F)F

Technology Process of 4-(Trifluoromethoxy)phenoxyacetyl chloride

There total 1 articles about 4-(Trifluoromethoxy)phenoxyacetyl chloride 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:

2-[4-(trifluoromethoxy)phenoxy]acetic acid (72220-50-9) → 2-(4-(trifluoromethoxy)phenoxy)acetyl chloride (72220-51-0)

Guidance literature:

With thionyl chloride;

Reference yield: 95.0%

2-(4-(trifluoromethoxy)phenoxy)acetyl chloride (72220-51-0) + 6-amino-2-chloro-4-methylquinoline (90772-83-1) → N-(2-chloro-4-methylquinolin-6-yl)-2-(4-trifluoromethoxyphenoxy)acetamide (710328-16-8)

Guidance literature:

In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/jm050103y

Reference yield: 80.0%

2-(4-(trifluoromethoxy)phenoxy)acetyl chloride (72220-51-0) + 7-(azidomethyl)-7-methyl-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine → N-[(7-methyl-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

Guidance literature:

With triphenylphosphine; In dichloromethane; at 20 ℃; for 1.58333h; Inert atmosphere;

DOI:10.1021/acsmedchemlett.0c00649

upstream raw materials:

2-[4-(trifluoromethoxy)phenoxy]acetic acid

Downstream raw materials:

N-(2-chloro-4-methylquinolin-6-yl)-2-(4-trifluoromethoxyphenoxy)acetamide

(S)-N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-(4-(trifluoromethoxy)phenoxy)acetamide

1-{4-[1-(1H-benzotriazole-5-carbonyl)-piperidin-4-yl]-piperazin-1-yl}-2-(4-trifluoromethoxy-phenoxy)-ethanone

C₁₉H₁₈F₃NO₄

Refernces

• 1、 -. "ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE". Page/Page column 273. . Retrieved 2008/06/13.