CGP-72670-d4

Base Information

• Chemical Name: CGP-72670-d4
• CAS No.: 1133425-75-8
• Molecular Formula: C21H15N3O4
• Molecular Weight: 373.3615
• Mol file: 1133425-75-8.mol

Synonyms:4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic Acid-d4;CGP-72670-d4;Deferasirox-d4;Exjade-d4;ICL-670A-d4;ICL-670-d4

Chemical Property of CGP-72670-d4

Chemical Property:

• Melting Point: 269-270?C
• PSA: 107.95000
• LogP: 1.08550
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere

Purity/Quality:

99%, ^*data from raw suppliers

Deferasirox-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Labelled orally active tridentate iron chelator.

Technology Process of CGP-72670-d4

There total 5 articles about CGP-72670-d4 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: 98.0%

4-hydrazinobenzoic acid-d4 + 2-(2-hydroxyphenyl)-4H-benzo[e][1,3]oxazin-4-one (1218-69-5) → 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-[2,3,5,6-2H4]benzoic acid (1133425-75-8)

Guidance literature:

With propionic acid; at 100 ℃; for 1h; Microwave irradiation;

DOI:10.1002/jlcr.3266

Reference yield:

4-nitro<2,4,5,6-2H4>toluene (84344-19-4) → 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-[2,3,5,6-2H4]benzoic acid (1133425-75-8)

Guidance literature:

Multi-step reaction with 4 steps

1.1: magnesium sulfate heptahydrate; potassium permanganate / water / 2.5 h / 85 °C

2.1: ammonium formate; palladium 10% on activated carbon / methanol; water / 0.33 h / 90 - 100 °C / Microwave irradiation

3.1: sodium nitrite; hydrogenchloride / water / 0.5 h / 0 - 10 °C

3.2: 0.5 h / 0 - 10 °C

4.1: propionic acid / 1 h / 100 °C / Microwave irradiation

With hydrogenchloride; potassium permanganate; magnesium sulfate heptahydrate; palladium 10% on activated carbon; ammonium formate; propionic acid; sodium nitrite; In methanol; water;

DOI:10.1002/jlcr.3266

Reference yield:

4-nitro<2,3,5,6-2H4>benzoic acid (171777-66-5) → 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-[2,3,5,6-2H4]benzoic acid (1133425-75-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: ammonium formate; palladium 10% on activated carbon / methanol; water / 0.33 h / 90 - 100 °C / Microwave irradiation

2.1: sodium nitrite; hydrogenchloride / water / 0.5 h / 0 - 10 °C

2.2: 0.5 h / 0 - 10 °C

3.1: propionic acid / 1 h / 100 °C / Microwave irradiation

With hydrogenchloride; palladium 10% on activated carbon; ammonium formate; propionic acid; sodium nitrite; In methanol; water;

DOI:10.1002/jlcr.3266

upstream raw materials:

4-nitro<2,3,5,6-2H4>benzoic acid

salicylamide

salicylic acid

2-(2-hydroxyphenyl)-4H-benzo[e][1,3]oxazin-4-one

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