2-Fluorobenzoic-d4 Acid

Base Information

• Chemical Name: 2-Fluorobenzoic-d4 Acid
• CAS No.: 646502-89-8
• Molecular Formula: FC6D4COOH
• Molecular Weight: 144.082
• Mol file: 646502-89-8.mol

Synonyms:2,3,4,5-tetradeuterio-6-fluorobenzoic acid;

Chemical Property of 2-Fluorobenzoic-d4 Acid

Chemical Property:

• Melting Point: 124 - 126oC
• PSA: 37.30000
• LogP: 1.52390
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile (Slightly), DMSO (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

2-FluorobenzoicAcid-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Labelled Meclofenamic Acid intermediate.

Technology Process of 2-Fluorobenzoic-d4 Acid

There total 6 articles about 2-Fluorobenzoic-d4 Acid 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: 89.0%

carbon dioxide (124-38-9,18923-20-1) + fluorobenzene-d5 (1423-10-5) → 2-fluorobenzoic acid-d4 (646502-89-8)

Guidance literature:

fluorobenzene-d5; With n-butyllithium; potassium tert-butylate; In tetrahydrofuran; hexane; at -78 ℃; for 1.5h;

carbon dioxide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1055/s-2003-40880

Reference yield: 74.0%

o-fluoro-benzoic acid (445-29-4) → 2-fluorobenzoic acid-d4 (646502-89-8)

Guidance literature:

With 10% Pt/activated carbon; water-d2; In isopropyl alcohol; at 20 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.oprd.8b00383

Reference yield:

C12H11(2)H4NO4 → 2-fluorobenzoic acid-d4 (646502-89-8)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / dichloromethane

2: nitrosonium tetrafluoroborate / dichloromethane; 1,2-dichloro-benzene

With nitrosonium tetrafluoroborate; trifluoroacetic acid; In dichloromethane; 1,2-dichloro-benzene;

upstream raw materials:

carbon dioxide

fluorobenzene-d5

o-fluoro-benzoic acid

anthranilic-3,4,5,6-d₄-acid

Downstream raw materials:

2-fluorobenzamide-d₄

2-fluoroaniline-d₄

Refernces

• 1、 Sawama, Yoshinari,Nakano, Akihiro,Matsuda, Takumi,Kawajiri, Takahiro,Yamada, Tsuyoshi,Sajiki, Hironao. "H-D Exchange Deuteration of Arenes at Room Temperature". supporting information. p. 648 - 653. Retrieved 2019/02/14.
• 2、 Kudzma, Linas V.. "Synthesis of substituted indoles and carbazoles from 2-fluorophenyl imines". . p. 1661 - 1666. Retrieved 2007/10/03.