2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride

Base Information

• Chemical Name: 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride
• CAS No.: 127163-51-3
• Molecular Formula: C8H3 Cl F2 O3
• Molecular Weight: 220.56
• Hs Code.: 2932999099
• European Community (EC) Number: 810-724-6
• DSSTox Substance ID: DTXSID10378868
• Wikidata: Q72462487
• Mol file: 127163-51-3.mol

Synonyms:127163-51-3;2,2-difluoro-1,3-benzodioxole-5-carbonyl chloride;2,2-Difluorobenzo[d][1,3]dioxole-5-carbonyl chloride;2,2-Difluoro-1,3-benzodioxole-5-carbonylchloride;2,2-difluorobenzo[1,3]dioxole-5-carbonyl chloride;SCHEMBL1257050;DTXSID10378868;MFCD01631475;AKOS015853292;BS-20558;FT-0609228;A805651;2,2-Difluorobenzo[d][1,3]dioxole-5-carbonylchloride;2,2-bis(fluoranyl)-1,3-benzodioxole-5-carbonyl chloride

Chemical Property of 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.0572mmHg at 25°C
• Refractive Index: 1.357
• Boiling Point: 44.5°Cat760mmHg
• Flash Point: 2°C
• PSA: 35.53000
• Density: 1.66g/cm³
• LogP: 2.38710
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 219.9738780
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

98%min ^*data from raw suppliers

2,2-Difluoro-1,3-benzodioxole-5-carbonylchloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)Cl)OC(O2)(F)F

Technology Process of 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride

There total 1 articles about 2,2-Difluoro-1,3-benzodioxole-5-carbonyl 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:

2,2-difluoro-1,3-benzodioxole-5-carboxylic acid (656-46-2) → 2,2-difluorobenzo[d][1,3]dioxole-5-carbonyl chloride (127163-51-3)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 8h;

Reference yield: 87.0%

2,2-difluorobenzo[d][1,3]dioxole-5-carbonyl chloride (127163-51-3) + N-(2,6-dibromo-4-heptafluoroisopropylphenyl)-2-fluoro-3-(methylamino)benzamide (1207318-24-8) → N-(2,6-dibromo-4-heptafluoroisopropylphenyl)-2-fluoro-3-(N-methyl-2,2-difluoro-1,3-benzodioxole-5-carboxamido)benzamide

Guidance literature:

In toluene; at 110 ℃;

Reference yield: 84.0%

2,2-difluorobenzo[d][1,3]dioxole-5-carbonyl chloride (127163-51-3) + N-(2-bromo-4-heptafluoroisopropyl-6-trifluoromethylphenyl)-2-fluoro-3 -methylaminobenzamide (1207315-58-9) → N-(2-bromo-4-heptafluoroisopropyl-6-trifluoromethylphenyl)-2-fluoro-3-(N-methyl-2,2-difluoro-1, 3-benzodioxole-5-carboxamido)benzamide

Guidance literature:

In toluene; at 110 ℃;

upstream raw materials:

2,2-difluoro-1,3-benzodioxole-5-carboxylic acid

Downstream raw materials:

C₁₅H₈ClF₂NO₅

Refernces

• 1、 -. "PIPERONYLIC ACID DERIVATIVE AND PREPARATION AND APPLICATION THEREOF". Paragraph 0108-0110; 0112; 0124; 0127. . Retrieved 2020/07/05.
• 2、 -. "Ramoplanin derivatives possessing antibacterial activity". Page/Page column 66. . Retrieved 2010/11/23.