Cryptopine

Base Information

• Chemical Name: Cryptopine
• CAS No.: 482-74-6
• Deprecated CAS: 633-45-4
• Molecular Formula: C21H23 N O5
• Molecular Weight: 369.417
• European Community (EC) Number: 207-584-8
• NSC Number: 32984
• UNII: MW13X5YK4A
• DSSTox Substance ID: DTXSID40197463
• Nikkaji Number: J5.982J
• Wikipedia: Cryptopine
• Wikidata: Q1142307
• Metabolomics Workbench ID: 123340
• ChEMBL ID: CHEMBL1339015
• Mol file: 482-74-6.mol

Synonyms:cryptopine

Chemical Property of Cryptopine

Chemical Property:

• Vapor Pressure: 4.86E-12mmHg at 25°C
• Melting Point: 220-221°
• Refractive Index: 1.5614 (estimate)
• Boiling Point: 547.5°Cat760mmHg
• PKA: 7.86±0.20(Predicted)
• Flash Point: 284.9°C
• PSA: 57.23000
• Density: 1.216g/cm³
• LogP: 2.78370
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 369.15762283
• Heavy Atom Count: 27
• Complexity: 529

Purity/Quality:

≥98% ^*data from raw suppliers

Cryptopine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C4=C(C=C3)OCO4)OC)OC

Technology Process of Cryptopine

There total 8 articles about Cryptopine 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:

8,9-dimethoxy-6,11,12,14-tetrahydro-[1,3]dioxolo[4,5-h]isoquino[2,1-b]isoquinolin-6a-ol (6872-28-2) → cryptopine (482-74-6)

Guidance literature:

Multi-step reaction with 2 steps

2: methanol

In methanol;

DOI:10.1039/jr9630002497

Reference yield:

8,9-dimethoxy-(6ar)-6,11,12,14-tetrahydro-6aH-[1,3]dioxolo[4,5-h]isoquino[2,1-b]isoquinoline 13ξ-oxide (99996-35-7) → cryptopine (482-74-6)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CrO₄ / H₂O

3: methanol

With potassium chromate; In methanol; water;

DOI:10.1039/jr9630002497

Reference yield:

sinactine (522-96-3,22554-51-4,38853-67-7,82051-55-6) → cryptopine (482-74-6)

Guidance literature:

Multi-step reaction with 4 steps

1: PhCO₃H / CHCl₃

2: K₂CrO₄ / H₂O

4: methanol

With potassium chromate; Perbenzoic acid; In methanol; chloroform; water;

DOI:10.1039/jr9630002497

upstream raw materials:

6a,8,9-trimethoxy-6,11,12,14-tetrahydro-6aH-[1,3]dioxolo[4,5-h]isoquino[2,1-b]isoquinoline

methyl iodide

8,9-dimethoxy-6,11,12,14-tetrahydro-[1,3]dioxolo[4,5-h]isoquino[2,1-b]isoquinolin-6a-ol

hydrogenchloride

Downstream raw materials:

6,7-dimethoxy-N-methyl-2H-3,4-dihydroisoquinolin-1-one

m-hemipinic acid

5,6-Dimethoxy-2-methyl-1H-isoindol-1,3(2H)-dion