Monocerin

Base Information

• Chemical Name: Monocerin
• CAS No.: 30270-60-1
• Molecular Formula: C₁₆H₂₀O₆
• Molecular Weight: 308.331
• Hs Code.: 29419000
• UNII: G7C424U3DJ
• DSSTox Substance ID: DTXSID70184361
• Nikkaji Number: J435.271H
• Wikipedia: Monocerin
• Wikidata: Q2899189
• Metabolomics Workbench ID: 192954
• ChEMBL ID: CHEMBL488513
• Mol file: 30270-60-1.mol

Synonyms:monocerin

Chemical Property of Monocerin

Chemical Property:

• Vapor Pressure: 6.89E-11mmHg at 25°C
• Boiling Point: 506.7 °C at 760 mmHg
• Flash Point: 187.5 °C
• PSA: 74.22000
• Density: 1.235 g/cm³
• LogP: 2.57850
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 308.12598835
• Heavy Atom Count: 22
• Complexity: 413

Purity/Quality:

98%Min ^*data from raw suppliers

Monocerin ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CC2C(O1)C3=CC(=C(C(=C3C(=O)O2)O)OC)OC
• Isomeric SMILES: CCC[C@H]1C[C@@H]2[C@H](O1)C3=CC(=C(C(=C3C(=O)O2)O)OC)OC

Technology Process of Monocerin

There total 156 articles about Monocerin 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: 86.0%

(2S,3aS,9bS)-6,7,8-Trimethoxy-2-propyl-2,3,3a,9b-tetrahydro-furo[3,2-c]isochromen-5-one (30270-61-2,123807-93-2,123807-94-3,123808-08-2) → (2R,3aR,9bR)-2,3,3a,9b-tetrahydro-6-hydroxy-7,8-dimethoxy-2-propyl-5H-furo(3,2-c)(2)benzopyran-5-one (28890-33-7,30270-60-1,123807-95-4,123807-96-5)

Guidance literature:

With boron tribromide; In dichloromethane; at -20 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)80027-2

Reference yield: 84.0%

(2S*,3aR*,9bR*)-2,3,3a,9b-tetrahydro-6,7,8-trimethoxy-2-propyl-5H-furol(3,2-c)(2)benzopyran-5-one (30270-61-2,123807-93-2,123807-94-3,123808-08-2) → (+/-)-monocerin (28890-33-7,30270-60-1,123807-95-4,123807-96-5)

Guidance literature:

With boron tribromide; In dichloromethane; at -20 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)80027-2

Reference yield: 75.0%

(2S,3aR,9bR)-2,3,3a,9b-tetrahydro-6,7,8-trimethoxy-2-propyl-5H-furol(3,2-c)(2)benzopyran-5-one (30270-61-2) → monocerin (28890-33-7,123807-95-4,123807-96-5,30270-60-1)

Guidance literature:

With boron trichloride; In dichloromethane; at -10 - -5 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c4ob00965g

upstream raw materials:

(2S,3aS,9bS)-2,3,3a,9b,-tetrahydro-6,7,8-trimethoxy-2-propyl-5H-furol(3,2-c)⁽²⁾benzopyran-5-one

(S)-(-)-1,2-pentanediol

L-Norvaline

2-(S)-hydroxyvaleric acid