4-(Difluoromethoxy)benzoyl chloride

Base Information

• Chemical Name: 4-(Difluoromethoxy)benzoyl chloride
• CAS No.: 57320-63-5
• Molecular Formula: C8H5ClF2O2
• Molecular Weight: 206.576
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20371749
• Wikidata: Q72463246
• Mol file: 57320-63-5.mol

Synonyms:4-(difluoromethoxy)benzoyl chloride;57320-63-5;4-(Difluoromethoxy)benzoylchloride;4-difluoromethoxybenzoyl chloride;SCHEMBL2422073;DTXSID20371749;4-(difluoromethoxy) benzoyl chloride;MFCD00833410;AKOS009158370;PS-10753;FT-0640449;4-(difluoromethoxy)benzoyl chloride, AldrichCPR

Chemical Property of 4-(Difluoromethoxy)benzoyl chloride

Chemical Property:

• Vapor Pressure: 0.0137mmHg at 25°C
• Melting Point: 116-118 ºC
• Refractive Index: 1.486
• Boiling Point: 258.5 °C at 760 mmHg
• Flash Point: 114.1 °C
• PSA: 26.30000
• Density: 1.366 g/cm³
• LogP: 2.66700
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 205.9946134
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Difluoromethoxy)benzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)Cl)OC(F)F

Technology Process of 4-(Difluoromethoxy)benzoyl chloride

There total 1 articles about 4-(Difluoromethoxy)benzoyl 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: 90.6%

4-(difluoromethoxy)benzoic acid (4837-20-1) → 4-(difluoromethoxy)benzoyl chloride (57320-63-5)

Guidance literature:

With bis(trichloromethyl) carbonate; triethylamine; In toluene; at 90 ℃; for 6h; Reagent/catalyst; Temperature;

Reference yield: 100.0%

2-Sulfanylpyridine (2637-34-5,73018-10-7) + 4-(difluoromethoxy)benzoyl chloride (57320-63-5) → S-pyridin-2-yl 4-(difluoromethoxy)benzothioate

Guidance literature:

In tetrahydrofuran; for 0.5h;

Reference yield: 80.0%

3,5-dichloro-4-aminopyridine (22889-78-7) + 4-(difluoromethoxy)benzoyl chloride (57320-63-5) → N-(3,5-dichloro-4-pyridyl)-4-(difluoromethoxy)benzamide

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 3h; Reagent/catalyst;

upstream raw materials:

4-(difluoromethoxy)benzoic acid

Downstream raw materials:

C₁₆H₁₀F₄O₆

N,N'-(3-METHYL-1,5-DIOXASPIRO[5.5]UNDECAN-3,9-DIYL)BIS(4-DIFLUOROMETHOXYBENZAMIDE)

roflumilast

Refernces

• 1、 -. "RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND". Paragraph 0524; 0525. . Retrieved 2015/02/25.