4-Carboxy-2,6-difluorobenzaldehyde

Base Information

• Chemical Name: 4-Carboxy-2,6-difluorobenzaldehyde
• CAS No.: 736990-88-8
• Molecular Formula: C8H4F2O3
• Molecular Weight: 186.115
• Hs Code.: 2916399090
• Mol file: 736990-88-8.mol

Synonyms:3,5-Difluoro-4-formylbenzoic acid

Chemical Property of 4-Carboxy-2,6-difluorobenzaldehyde

Chemical Property:

• Boiling Point: 319.877 °C at 760 mmHg
• Flash Point: 147.257 °C
• PSA: 54.37000
• Density: 1.525 g/cm³
• LogP: 1.47550
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-Difluoro-4-formylbenzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3,5-Difluoro-4-formylbenzoic Acid is used for synthesis of halogenated analogs of bexarotene as retinoid X receptor-specific agonists.

Technology Process of 4-Carboxy-2,6-difluorobenzaldehyde

There total 1 articles about 4-Carboxy-2,6-difluorobenzaldehyde 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:

3,5-difluorobenzoic acid (455-40-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3,5-difluoro-4-formylbenzoic acid (736990-88-8)

Guidance literature:

3,5-difluorobenzoic acid; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; pentane; at -78 - 20 ℃; for 18h;

DOI:10.1002/cmdc.201200319

Reference yield: 93.0%

3,5-difluoro-4-formylbenzoic acid (736990-88-8) + benzyl bromide (100-39-0) → benzyl-3,5-difluoro-4-formylbenzoate (1403326-80-6)

Guidance literature:

3,5-difluoro-4-formylbenzoic acid; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; for 0.666667h;

benzyl bromide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 5h;

DOI:10.1002/cmdc.201200319

Reference yield: 92.0%

3,5-difluoro-4-formylbenzoic acid (736990-88-8) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + p-toluidine (106-49-0,12221-03-3) → (rac)-3,5-difluoro-4-((3aS,4R,9bR)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In acetonitrile; at 20 ℃; for 16h; diastereoselective reaction;

upstream raw materials:

3,5-difluorobenzoic acid

N,N-dimethyl-formamide

Downstream raw materials:

(S)-tert-butyl 2-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-5-methyl-1H-benzo[d]imidazol-1-yl)methyl)morpholine-4-carboxylate

(S)-methyl 2-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-5-methyl-1H-benzo[d]imidazol-1-yl)methyl)morpholine-4-carboxylate

(R)-methyl 2-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-5-methyl-1H-benzo[d]imidazol-1-yl)methyl)morpholine-4-carboxylate

(R)-tert-butyl 2-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-5-methyl-lH-benzo[d]imidazol-l-yl)methyl)morpholine-4-carboxylate

Refernces