1,4-Benzenedicarbonyl difluoride (9CI)

Base Information

• Chemical Name: 1,4-Benzenedicarbonyl difluoride (9CI)
• CAS No.: 1978-21-8
• Molecular Formula: C8H4 F2 O2
• Molecular Weight: 170.11
• Hs Code.: 2917399090
• Mol file: 1978-21-8.mol

Synonyms:Terephthaloylfluoride (6CI,7CI,8CI); Terephthaloyl difluoride

Chemical Property of 1,4-Benzenedicarbonyl difluoride (9CI)

Chemical Property:

• PSA: 34.14000
• LogP: 1.90600

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,4-Benzenedicarbonyl difluoride (9CI)

There total 4 articles about 1,4-Benzenedicarbonyl difluoride (9CI) 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: 76.0%

terephthalic acid (100-21-0) → 1,4-benzenedicarbonyl difluoride (1978-21-8)

Guidance literature:

With sodium fluoride; ethanaminium,N-(difluoro-λ⁴-sulfanylidene)-N-ethyl-,tetrafluoroborate; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.0c01377

Reference yield:

1,4-benzenedicarboxylic acid dimethyl ester (120-61-6) → 1,4-benzenedicarbonyl difluoride (1978-21-8)

Guidance literature:

With sulfur tetrafluoride; boron trifluoride; at 130 ℃; for 8h;

DOI:10.1021/ja01488a012

Reference yield:

carbon monoxide (201230-82-2) + 1.4-dibromobenzene (106-37-6) → 1,4-benzenedicarbonyl difluoride (1978-21-8)

Guidance literature:

With potassium fluoride; bis(triphenylphosphine)palladium dibromide; triphenylphosphine; In N,N-dimethyl-formamide; at 110 ℃; for 3h;

DOI:10.1246/bcsj.65.1741

upstream raw materials:

1,4-benzenedicarboxylic acid dimethyl ester

carbon monoxide

1.4-dibromobenzene

4-Fluorocarbonyl-benzoic acid

Downstream raw materials:

methyl 4‐(1H‐benzo[d]imidazol‐2‐yl)benzoate

2-(4-methoxycarbonylphenyl)-1,3-benzoxazole

2-(4-methoxycarbonylphenyl)benzothiazole

Refernces

• 1、 Chen, Chinpiao,Chen, Yi-Jing. "Liquid-phase synthesis of 2-substituted benzimidazoles, benzoxazoles and benzothiazoles". . p. 113 - 115. Retrieved 2007/10/03.
• 2、 Brownlee, Robert T. C.,Craik, David J.. "The Relationship between 19F Substituent Chemical Shifts and Electron Densities: meta- and para-Substituted Benzoyl Fluorides". . p. 186 - 191. Retrieved 2007/10/02.