Buflomedil

Base Information

• Chemical Name: Buflomedil
• CAS No.: 55837-25-7
• Molecular Formula: C17H25NO4
• Molecular Weight: 307.39
• Hs Code.: 29339990
• European Community (EC) Number: 259-851-3
• UNII: V7I71DQ432
• DSSTox Substance ID: DTXSID5022697
• Nikkaji Number: J11.045K
• Wikipedia: Buflomedil
• Wikidata: Q417862
• NCI Thesaurus Code: C80610
• Pharos Ligand ID: GVYG49QVN5XM
• Metabolomics Workbench ID: 154311
• ChEMBL ID: CHEMBL188921
• Mol file: 55837-25-7.mol

Synonyms:2,4,6-trimethoxyphenyl-3-pyrrolidine propyl ketone;blufomedil;Bufedil;Buflo 1A Pharma;Buflo AbZ;Buflo-POS;Buflo-Puren;Buflohexal;buflomedil;Buflomedil Heumann;buflomedil hydrochloride;Buflomedil Lindo;buflomedil pyridoxal phosphate;Buflomedil Stada;buflomedil von ct;Buflomedil-ratiopharm;bufomedil;Fonzylane;LL 1656;Lofton;Loftyl;Sinoxis

Chemical Property of Buflomedil

Chemical Property:

• Vapor Pressure: 1.9E-08mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 454.5 °C at 760 mmHg
• PKA: 10.15±0.20(Predicted)
• Flash Point: 228.7 °C
• PSA: 48.00000
• Density: 1.09 g/cm³
• LogP: 2.70900
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 307.17835828
• Heavy Atom Count: 22
• Complexity: 330

Purity/Quality:

98% Min ^*data from raw suppliers

BUFLOMEDIL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC
• Uses: BAN; DCF; MI.
• Therapeutic Function: Vasodilator

Technology Process of Buflomedil

There total 1 articles about Buflomedil 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:

→ buflomedil (55837-25-7)

Guidance literature:

Reference yield:

chloro-trimethyl-silane (75-77-4) + buflomedil (55837-25-7) → 1-[(Z)-4-(2,4,6-Trimethoxy-phenyl)-4-trimethylsilanyloxy-but-3-enyl]-pyrrolidine

Guidance literature:

buflomedil; With sodium hexamethyldisilazane; In tetrahydrofuran; at -40 ℃;

chloro-trimethyl-silane; In tetrahydrofuran; at -40 - 0 ℃;

DOI:10.1002/1521-3773(20020315)41:6<996::AID-ANIE996>3.0.CO;2-I

Reference yield:

buflomedil (55837-25-7) → (E)-4-Pyrrolidin-1-yl-1-(2,4,6-trimethoxy-phenyl)-but-2-en-1-one

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaHMDS / tetrahydrofuran / -40 °C

1.2: tetrahydrofuran / -40 - 0 °C

2.1: o-iodoxybenzoic acid (IBX); 4-methoxypyridine N-oxide / dimethylsulfoxide; CH₂Cl₂ / 6 h / 20 °C

With 4-methoxypyridine N-oxide; sodium hexamethyldisilazane; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide;

DOI:10.1002/1521-3773(20020315)41:6<996::AID-ANIE996>3.0.CO;2-I

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