Ammijin

Base Information

• Chemical Name: Ammijin
• CAS No.: 495-30-7
• Deprecated CAS: 27497-13-8
• Molecular Formula: C₂₀H₂₄O₉
• Molecular Weight: 408.405
• UNII: 1C1VEU88IF
• DSSTox Substance ID: DTXSID70950184
• Nikkaji Number: J15.205F
• Wikidata: Q27225562
• Mol file: 495-30-7.mol

Synonyms:marmesinin

Chemical Property of Ammijin

Chemical Property:

• Vapor Pressure: 3.66E-18mmHg at 25°C
• Melting Point: 259-260 °C (decomp)(Solv: water (7732-18-5))
• Boiling Point: 657.1°Cat760mmHg
• PKA: 12.90±0.70(Predicted)
• Flash Point: 233.7°C
• PSA: 138.82000
• Density: 1.51g/cm³
• LogP: -0.30840
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 408.14203234
• Heavy Atom Count: 29
• Complexity: 650

Purity/Quality:

≥98% ^*data from raw suppliers

Marmesinin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O
• Isomeric SMILES: CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Technology Process of Ammijin

There total 3 articles about Ammijin 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:

sodium methylate (124-41-4) + 6'-O-trans-feruloylnodakenin (131623-14-8) → Methyl ferulate (2309-07-1) + 1'-O-β-D-glucopyranosyl-(2R)-marmesin (495-30-7,495-31-8,27497-13-8)

Guidance literature:

In methanol; for 8h; Ambient temperature;

DOI:10.1248/cpb.38.2498

Reference yield:

Marmesinin-tetraacetat (125497-23-6) → (S)-marmesinin (495-30-7,495-31-8,27497-13-8)

Guidance literature:

With methanol; ammonia;

DOI:10.1021/jo01105a632

Reference yield:

Nodakenin-tetraacetat (125497-23-6) → 1'-O-β-D-glucopyranosyl-(2R)-marmesin (495-30-7,495-31-8,27497-13-8)

Guidance literature:

With ammonia;

upstream raw materials:

Marmesinin-tetraacetat

Nodakenin-tetraacetat

sodium methylate

6'-O-trans-feruloylnodakenin

Downstream raw materials:

(+)-marmesin

marmesin

marmesin

Refernces