Micromelin

Base Information

• Chemical Name: Micromelin
• CAS No.: 15085-71-9
• Molecular Formula: C₁₅H₁₂O₆
• Molecular Weight: 288.257
• NSC Number: 77149
• DSSTox Substance ID: DTXSID10934105
• Nikkaji Number: J239.142B
• Wikidata: Q27107365
• Mol file: 15085-71-9.mol

Synonyms:Micromelin;15085-71-9;mMelin;NSC 281267;NSC 77149;3,6-Dioxobicyclo(3.1.0)hexan-2-one, 4-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-1-methyl-, (1alpha,4alpha,5alpha)-;CHEBI:6929;DTXSID10934105;HY-N3258;NSC77149;NSC-77149;AKOS032948507;3,6-Dioxabicyclo[3.1.0]hexan-2-one,4-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-1-methyl-, (1R,4R,5R)-rel-;CS-0023730;C09277;A884130;Q27107365;7-Methoxy-6-(5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2H-1-benzopyran-2-one;(5beta)-4beta-(7-Methoxy-2-oxo-2H-1-benzopyran-6-yl)-1beta-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-one

Chemical Property of Micromelin

Chemical Property:

• Vapor Pressure: 1.23E-10mmHg at 25°C
• Boiling Point: 513ºC at 760 mmHg
• Flash Point: 232ºC
• PSA: 78.27000
• Density: 1.465g/cm3
• LogP: 1.55700
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 288.06338810
• Heavy Atom Count: 21
• Complexity: 528

Purity/Quality:

99% ^*data from raw suppliers

Micromelin >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C(O1)C(OC2=O)C3=C(C=C4C(=C3)C=CC(=O)O4)OC
• Isomeric SMILES: C[C@@]12[C@@H](O1)[C@@H](OC2=O)C3=C(C=C4C(=C3)C=CC(=O)O4)OC

Technology Process of Micromelin

There total 4 articles about Micromelin 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: 28.0%

methanol (67-56-1) + micromelin (15085-71-9,99528-84-4) → 3--2-methyloxiran-2-carboxylic acid (99463-18-0) + isomicromelin (15085-71-9,99528-84-4)

Guidance literature:

With sodium hydroxide; at 50 ℃; for 0.333333h; Yields of byproduct given;

Reference yield: 28.0%

micromelin (15085-71-9,99528-84-4) → 3--2-methyloxiran-2-carboxylic acid (99463-18-0) + isomicromelin (15085-71-9,99528-84-4)

Guidance literature:

With sodium hydroxide; sulfuric acid; Yield given. Multistep reaction; 1.) methanol, 50 deg C, 20 min, 2.) CH₃OH, 50 deg C, 15 min;

Reference yield:

3--2-methyloxiran-2-carboxylic acid sodium salt (99463-19-1) → isomicromelin (15085-71-9,99528-84-4)

Guidance literature:

With sulfuric acid;

upstream raw materials:

methanol

micromelin

ethanol

3--2-methyloxiran-2-carboxylic acid sodium salt

Downstream raw materials:

3--2-methyloxiran-2-carboxylic acid

isomicromelin

psoralen

6-((S)-3-Hydroxy-4-methyl-5-oxo-2,5-dihydro-furan-2-yl)-7-methoxy-chromen-2-one

Refernces