Intermedine

Base Information

• Chemical Name: Intermedine
• CAS No.: 10285-06-0
• Deprecated CAS: 1414-01-3
• Molecular Formula: C₁₅H₂₅NO₅
• Molecular Weight: 299.367
• European Community (EC) Number: 683-133-2
• UNII: DLC9FEP81A
• DSSTox Substance ID: DTXSID001020073
• Nikkaji Number: J15.602G
• Wikidata: Q27106936
• Metabolomics Workbench ID: 53229
• Mol file: 10285-06-0.mol

Synonyms:intermedine

Chemical Property of Intermedine

Chemical Property:

• Vapor Pressure: 1.57E-10mmHg at 25°C
• Melting Point: 140-141 °C
• Boiling Point: 463.3°Cat760mmHg
• PKA: 12.59±0.29(Predicted)
• Flash Point: 234°C
• PSA: 90.23000
• Density: 1.26g/cm³
• LogP: -0.38940
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 299.17327290
• Heavy Atom Count: 21
• Complexity: 436

Purity/Quality:

97% ^*data from raw suppliers

Intermedine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O
• Isomeric SMILES: C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)O

Technology Process of Intermedine

There total 17 articles about Intermedine 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:

lycopsamine A N-oxide (20267-93-0,41708-76-3,95462-14-9,95462-15-0,95462-16-1,107983-61-9,109363-23-7,115510-00-4,116949-40-7,137821-16-0) → lycopsamine A (480-82-0,480-83-1,6029-84-1,6857-00-7,7019-83-2,10285-06-0,10285-07-1,83114-73-2,95462-13-8,96291-81-5,96291-82-6,109363-22-6,115509-99-4,120294-01-1,120294-85-1,26131-12-4)

Guidance literature:

With sulfuric acid; zinc; at 10 ℃; for 3h;

Reference yield:

parsonsine (72213-98-0) → Intermedin (480-82-0,480-83-1,6029-84-1,6857-00-7,7019-83-2,10285-06-0,10285-07-1,83114-73-2,95462-13-8,96291-81-5,96291-82-6,109363-22-6,115509-99-4,120294-01-1,120294-85-1,26131-12-4)

Guidance literature:

With acid;

DOI:10.1016/S0040-4039(00)92832-6

Reference yield:

parsonsine (72213-98-0) → Intermedin (480-82-0,480-83-1,6029-84-1,6857-00-7,7019-83-2,10285-06-0,10285-07-1,83114-73-2,95462-13-8,96291-81-5,96291-82-6,109363-22-6,115509-99-4,120294-01-1,120294-85-1,26131-12-4) + α-isopropylmalic acid (3237-44-3) + 2,3-dihydroxy-2-(1-methylethyl)butanoic acid (466-18-2)

Guidance literature:

acid hydrolysis;

DOI:10.1016/S0040-4039(00)92832-6

upstream raw materials:

parsonsine

lycopsamine A N-oxide

(4S,5R)-4-Isopropyl-2,2,5-trimethyl-[1,3]dioxolane-4-carboxylic acid (7R,7aR)-7-hydroxy-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethyl ester

4(S)-(1-methylethyl)-2,2,5(R)-trimethyl-1,3-dioxolane-4-carboxylic acid

Downstream raw materials:

intermedine N-oxide