BioMed 101

Base Information

• Chemical Name: BioMed 101
• CAS No.: 120072-59-5
• Molecular Formula: C₂₈H₃₆O₇
• Molecular Weight: 484.59
• UNII: EVH7O0422T
• DSSTox Substance ID: DTXSID10869645
• Nikkaji Number: J263.865G
• Wikidata: Q27088744
• NCI Thesaurus Code: C2206
• Pharos Ligand ID: HPS8CHRPH3J9
• ChEMBL ID: CHEMBL14823
• Mol file: 120072-59-5.mol

Synonyms:2H-1-Benzopyran-2-carboxylic acid, 7-(3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy)-3,4-dihydro-8-propyl-;7-(3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy)-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic acid;SC 41930;SC-41930

Chemical Property of BioMed 101

Chemical Property:

• Vapor Pressure: 3.27E-18mmHg at 25°C
• Boiling Point: 658°Cat760mmHg
• Flash Point: 214.1°C
• Density: 1.156g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 484.24610348
• Heavy Atom Count: 35
• Complexity: 668

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCC
• Recent ClinicalTrials: Biomed 101 and Interleukin-2 in Treating Patients With Kidney Cancer

Technology Process of BioMed 101

There total 7 articles about BioMed 101 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:

1-(2,4-dihydroxy-3-propylphenyl)ethanone (40786-69-4) → 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)-propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic acid (145707-13-7,145707-14-8,120072-59-5)

Guidance literature:

Multi-step reaction with 6 steps

1: K₂CO₃ / dimethylformamide

2: 95 percent / NaI / acetone / Heating

3: 62 percent / K₂CO₃ / dimethylformamide

4: 70 percent / H₂, AcOH / 5percent Pd/C / 75 °C / 3102.9 Torr

5: K₂CO₃ / dimethylformamide

6: LiOH / methanol; H₂O

With lithium hydroxide; hydrogen; potassium carbonate; acetic acid; sodium iodide; palladium on activated charcoal; In methanol; water; N,N-dimethyl-formamide; acetone;

DOI:10.1021/jm00126a001

Reference yield:

1-[4-(3-chloropropoxy)?2-hydroxy-3-propylphenyl]ethanone (79558-02-4) → 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)-propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic acid (145707-13-7,145707-14-8,120072-59-5)

Guidance literature:

Multi-step reaction with 5 steps

1: 95 percent / NaI / acetone / Heating

2: 62 percent / K₂CO₃ / dimethylformamide

3: 70 percent / H₂, AcOH / 5percent Pd/C / 75 °C / 3102.9 Torr

4: K₂CO₃ / dimethylformamide

5: LiOH / methanol; H₂O

With lithium hydroxide; hydrogen; potassium carbonate; acetic acid; sodium iodide; palladium on activated charcoal; In methanol; water; N,N-dimethyl-formamide; acetone;

DOI:10.1021/jm00126a001

Reference yield:

3-(2-propyl-3-hydroxy-4-acetylphenoxy)-1-iodopropane (79557-63-4) → 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)-propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic acid (145707-13-7,145707-14-8,120072-59-5)

Guidance literature:

Multi-step reaction with 4 steps

1: 62 percent / K₂CO₃ / dimethylformamide

2: 70 percent / H₂, AcOH / 5percent Pd/C / 75 °C / 3102.9 Torr

3: K₂CO₃ / dimethylformamide

4: LiOH / methanol; H₂O

With lithium hydroxide; hydrogen; potassium carbonate; acetic acid; palladium on activated charcoal; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1021/jm00126a001

upstream raw materials:

methyl ester of 7-<3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy>-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic acid

1-(2,4-dihydroxy-3-propylphenyl)ethanone

1-[4-(3-chloropropoxy)?2-hydroxy-3-propylphenyl]ethanone

3-(2-propyl-3-hydroxy-4-acetylphenoxy)-1-iodopropane