Benzoic acid,2,6-difluoro-3-iodo-

Base Information

• Chemical Name: Benzoic acid,2,6-difluoro-3-iodo-
• CAS No.: 229178-74-9
• Molecular Formula: C7H3 F2 I O2
• Molecular Weight: 284.001
• Hs Code.: 2916399090
• Mol file: 229178-74-9.mol

Synonyms:2,6-Difluoro-3-iodobenzoicacid

Chemical Property of Benzoic acid,2,6-difluoro-3-iodo-

Chemical Property:

• Vapor Pressure: 0.000247mmHg at 25°C
• Refractive Index: 1.612
• Boiling Point: 311.1°C at 760 mmHg
• PKA: 1.99±0.10(Predicted)
• Flash Point: 142°C
• PSA: 37.30000
• Density: 2.144g/cm³
• LogP: 2.26760
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

98%min ^*data from raw suppliers

2,6-Difluoro-3-iodobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid,2,6-difluoro-3-iodo-

There total 7 articles about Benzoic acid,2,6-difluoro-3-iodo- 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: 100.0%

2,6-difluorobenzoic acid (385-00-2) → 2,6-difluoro-3-iodobenzoic acid (229178-74-9)

Guidance literature:

With N-iodo-succinimide; trifluorormethanesulfonic acid; at 0 ℃; for 4h;

DOI:10.1021/jm900460z

Reference yield: 97.0%

methyl 2,6-difluoro-3-iodobenzoate (501433-14-3) → 2,6-difluoro-3-iodobenzoic acid (229178-74-9)

Guidance literature:

With potassium tert-butylate; water; In diethyl ether; at 25 ℃; for 2h;

DOI:10.1002/1099-0690(200210)2002:19<3351::AID-EJOC3351>3.0.CO;2-I

Reference yield: 48.0%

carbon dioxide (124-38-9,18923-20-1) + 2,6-difluoroiodobenzene (13697-89-7) → 2,6-difluoro-3-iodobenzoic acid (229178-74-9) + 2,6-difluorobenzoic acid (385-00-2)

Guidance literature:

2,6-difluoroiodobenzene; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; hexane;

DOI:10.1055/s-2005-861787

upstream raw materials:

2,6-difluorobenzoic acid

methyl 2,6-difluoro-3-iodobenzoate

carbon dioxide

2,6-difluoroiodobenzene

Downstream raw materials:

(S)-6-(3-chloro-2-fluorobenzyl)-5-hydroxy-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

6-(3-chloro-2-fluorobenzyl)-1-cyclohexyl-5-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

6-(3-chloro-2-fluorobenzyl)-1-cyclopentyl-5-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

6-(3-chloro-2-fluorobenzyl)-1-cyclopropyl-5-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Refernces

• 1、 Sato, Motohide,Kawakami, Hiroshi,Motomura, Takahisa,Aramaki, Hisateru,Matsuda, Takashi,Yamashita, Masaki,Ito, Yoshiharu,Matsuzaki, Yuji,Yamataka, Kazunobu,Ikeda, Satoru,Shinkai, Hisashi. "Quinolone carboxylic acids as a novel monoketo acid class of human immunodeficiency virus type 1 integrase inhibitors". supporting information; experimental part. p. 4869 - 4882. Retrieved 2010/03/02.
• 2、 Rausis, Thierry,Schlosser, Manfred. "The basicity gradient-driven migration of iodine: Conferring regioflexibility on the substitution of fluoroarenes". . p. 3351 - 3358. Retrieved 2007/10/03.