7-Methylpyrido(3,4-c)psoralen

Base Information

• Chemical Name: 7-Methylpyrido(3,4-c)psoralen
• CAS No.: 85878-63-3
• Molecular Formula: C₁₅H₉NO₃
• Molecular Weight: 251.241
• Hs Code.: 2934999090
• NSC Number: 376770
• UNII: 8E3GP5CCH4
• DSSTox Substance ID: DTXSID20235190
• Wikidata: Q27155994
• Mol file: 85878-63-3.mol

Synonyms:7-methylpyrido(3,4-c)psoralen;7-methylpyridopsoralen;7-MPP;MePyPs;PMPSL;pyrido(3,4-c)-7-methylpsoralen

Chemical Property of 7-Methylpyrido(3,4-c)psoralen

Chemical Property:

• Refractive Index: 1.6231 (estimate)
• Boiling Point: 394.39°C (rough estimate)
• Flash Point: 230.2oC
• PSA: 56.24000
• Density: 1.2233 (rough estimate)
• LogP: 3.39580
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 251.058243149
• Heavy Atom Count: 19
• Complexity: 386

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC3=C1OC(=O)C4=C3C=CN=C4)C=CO2

Technology Process of 7-Methylpyrido(3,4-c)psoralen

There total 2 articles about 7-Methylpyrido(3,4-c)psoralen 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: 25.0%

3-Benzyl-7-methyl-1,2,3,4,9,10-hexahydro-6,8-dioxa-3-aza-cyclopenta[b]phenanthren-5-one; hydrochloride (88701-61-5) → 7-methylpyrido-[3,4-c]psoralen (85878-63-3)

Guidance literature:

palladium on activated charcoal; In diphenylether; for 5h; Heating;

DOI:10.1039/P19830000225

Reference yield:

6-acetoxy-7-methyl-2,3-dihydrobenzofuran (21861-24-5) → 7-methylpyrido-[3,4-c]psoralen (85878-63-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / hydrogen chloride / acetic acid / 120 h / Ambient temperature

2: 25 percent / 10percent palladium on charcoal / diphenyl ether / 5 h / Heating

With hydrogenchloride; palladium on activated charcoal; In diphenylether; acetic acid;

DOI:10.1039/P19830000225

upstream raw materials:

3-Benzyl-7-methyl-1,2,3,4,9,10-hexahydro-6,8-dioxa-3-aza-cyclopenta[b]phenanthren-5-one; hydrochloride

6-acetoxy-7-methyl-2,3-dihydrobenzofuran

Refernces