Furnidipine

Base Information

• Chemical Name: Furnidipine
• CAS No.: 138661-03-7
• Molecular Formula: C₂₁H₂₄N₂O₇
• Molecular Weight: 416.431
• UNII: AJ6J4424XT
• DSSTox Substance ID: DTXSID90930180
• Nikkaji Number: J469.136I
• Wikidata: Q27273953
• NCI Thesaurus Code: C72975
• ChEMBL ID: CHEMBL2218905
• Mol file: 138661-03-7.mol

Synonyms:furnidipine

Chemical Property of Furnidipine

Chemical Property:

• Boiling Point: 573.3°Cat760mmHg
• Flash Point: 300.5°C
• PSA: 119.68000
• Density: 1.297g/cm³
• LogP: 3.57680
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 416.15835111
• Heavy Atom Count: 30
• Complexity: 768

Purity/Quality:

97% ^*data from raw suppliers

FURNIDIPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCC2CCCO2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Technology Process of Furnidipine

There total 36 articles about Furnidipine 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: 88.0%

(S)-(+)-tetrahydrofuran-2-yl 2-<(2'-nitrophenyl)methylene>acetoacetate (169873-06-7) + methyl 3-aminocrotonate (14205-39-1) → (RS)-furnidipine (138661-03-7) + (SS)-furnidipine (138661-03-7)

Guidance literature:

In isopropyl alcohol; Yields of byproduct given; Heating;

DOI:10.1016/S0957-4166(00)80162-7

Reference yield: 88.0%

(S)-(+)-tetrahydrofuran-2-yl 2-<(2'-nitrophenyl)methylene>acetoacetate (169873-06-7) + methyl 3-aminocrotonate (14205-39-1) → (RS)-furnidipine (138661-03-7) + (SS)-furnidipine (138661-03-7)

Guidance literature:

In isopropyl alcohol; Yields of byproduct given; Heating;

DOI:10.1016/S0957-4166(00)80162-7

Reference yield:

Tetrahydrofurfuryl alcohol (97-99-4) → (RS)-furnidipine (138661-03-7)

Guidance literature:

Multi-step reaction with 7 steps

1: 45 percent / CrO₃, H₂SO₄ / acetone / 20 °C

3: 89 percent / diethyl ether / 1 h / 0 °C

4: 74 percent / NaBH₄ / ethanol / 3 h / Heating

5: 91 percent / xylene / 1 h / 160 °C

6: 75 percent / ammonium acetate / ethanol / 6 h / Heating

7: propan-2-ol / 10 h / Heating

With chromium(VI) oxide; ammonium acetate; sodium tetrahydroborate; sulfuric acid; In diethyl ether; ethanol; isopropyl alcohol; acetone; xylene;

DOI:10.1021/jm00015a005

upstream raw materials:

methyl 2-(2'-nitrobenzylidene)acetoacetate

(S)-(+)-tetrahydrofuran-2-yl 3-aminocrotonate

(S)-(+)-tetrahydrofuran-2-yl 2-<(2'-nitrophenyl)methylene>acetoacetate

methyl 3-aminocrotonate