Phthaloyl amlodipine

Base Information

• Chemical Name: Phthaloyl amlodipine
• CAS No.: 88150-62-3
• Molecular Formula: C28H27ClN2O7
• Molecular Weight: 538.985
• Hs Code.: 2933399090
• European Community (EC) Number: 413-410-3,618-121-8
• UNII: 9QAO5CRP93
• DSSTox Substance ID: DTXSID30893841
• Nikkaji Number: J1.078.255D
• Wikidata: Q27272892
• ChEMBL ID: CHEMBL295696
• Mol file: 88150-62-3.mol

Synonyms:4-(2-Chloroethyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-((2-phthalimidoethoxy)methyl)-1,4-dihydropyridine;4-(2-Chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-2-[(2-phthalimidoethoxy)methyl]-1,4-dihydropyridine;Phthalimidoamlodipine;

Chemical Property of Phthaloyl amlodipine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 140-145 °C
• Refractive Index: 1.589
• Boiling Point: 654.061 °C at 760 mmHg
• PKA: 2.06±0.70(Predicted)
• Flash Point: 349.364 °C
• PSA: 111.24000
• Density: 1.321 g/cm³
• LogP: 3.87050
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated and Sonicated)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 538.1506789
• Heavy Atom Count: 38
• Complexity: 999

Purity/Quality:

99% ^*data from raw suppliers

Phthaloyl Amlodipine ^*data from reagent suppliers

Safty Information:

• Statements: 53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN3C(=O)C4=CC=CC=C4C3=O
• Uses: Amilodopine intermediate Amlodipine intermediate. Amlodipine Related Compound A Amlodipine intermediate.

Technology Process of Phthaloyl amlodipine

There total 19 articles about Phthaloyl amlodipine 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: 89.9%

ethyl 2-(2-chlorobenzylidene)-4-[(2-phthalimido)ethoxy]acetoacetate (400024-08-0) + methyl 3-aminocrotonate (14205-39-1) → 4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-[2-phthalimidoethoxymethyl]-1,4-dihydropyridine (88150-62-3,103094-30-0)

Guidance literature:

With acetic acid; at 25 ℃; Temperature; Large scale;

Reference yield: 87.0%

→ 4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-[2-phthalimidoethoxymethyl]-1,4-dihydropyridine (88150-62-3,103094-30-0)

Guidance literature:

In hexane; dichloromethane; at 30 - 35 ℃; for 6h; Purification / work up;

Reference yield: 82.4%

ethyl 2-(2-chlorobenzylidene)-4-[(2-phthalimido)ethoxy]acetoacetate (400024-08-0) + methyl (E)-3-aminocrotonate (14205-39-1) → 4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-[2-phthalimidoethoxymethyl]-1,4-dihydropyridine (88150-62-3,103094-30-0)

Guidance literature:

In ethanol; at 90 ℃; for 0.333333h; Temperature; Flow reactor;

upstream raw materials:

2-chloro-benzaldehyde

methyl (E)-3-aminocrotonate

ethyl 4-[2-(phthalimido)ethoxy]acetoacetate

methyl 3-aminocrotonate

Downstream raw materials:

3-ethyl-5-methyl-(4-RS)-4-(2-chlorophenyl)-6-[[2-((2-methylcarbamoyl)benzoyl)aminoethoxy]methyl]-1,4-dihydropyridine-3,5-dicarboxylate

(RS)-amlodipine maleate

acetone solvate of 3-ethyl, 5-methyl 4-(2-chlorophenyl)-1,4-dihydro-6-methyl-2-[(2-phthalimidoethoxy)methyl]-3,5-pyridinedicarboxylate

amlodipine besylate

Refernces

• 1、 -. "Synthesis technology of amlodipine maleate". . . Retrieved 2018/09/08.
• 2、 -. "Method for synthesizing phthaloyl amlodipine". Paragraph 0035; 0036; 0037. . Retrieved 2017/07/21.