7-Deoxynogarol

Base Information

• Chemical Name: 7-Deoxynogarol
• CAS No.: 71582-53-1
• Molecular Formula: C₂₇H₂₉NO₉
• Molecular Weight: 511.529
• NSC Number: 308329
• DSSTox Substance ID: DTXSID80992136
• ChEMBL ID: CHEMBL346835
• Mol file: 71582-53-1.mol

Synonyms:7-deoxynogarol

Chemical Property of 7-Deoxynogarol

Chemical Property:

• Vapor Pressure: 1.66E-29mmHg at 25°C
• Boiling Point: 834.1°C at 760 mmHg
• PKA: 6.74±0.70(Predicted)
• Flash Point: 458.2°C
• PSA: 156.99000
• Density: 1.61g/cm³
• LogP: 0.72880
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 511.18423150
• Heavy Atom Count: 37
• Complexity: 976

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

7-DEOXYNOGAROL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)O

Technology Process of 7-Deoxynogarol

There total 20 articles about 7-Deoxynogarol 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: 75.0%

(+)-2',4'-di-O-acetyl-7-deoxynogarol (116762-60-8,118016-73-2) → (+)-7-deoxynogarol (71582-53-1,113532-66-4,116838-50-7)

Guidance literature:

With potassium carbonate; In methanol; at 50 ℃;

DOI:10.1016/S0040-4039(00)80211-7

Reference yield: 64.0%

(+)-2',4'-di-O-acetyl-9-epi-7-deoxynogarol (116762-60-8,118016-73-2) → (+)-9-epi-7-deoxynogarol (71582-53-1,113532-66-4,116838-50-7)

Guidance literature:

With potassium carbonate; In methanol; at 50 ℃;

DOI:10.1016/S0040-4039(00)80211-7

Reference yield: 33.0%

1H-imidazole (288-32-4) + menogaril (64267-47-6,71628-96-1,105119-19-5,111688-19-8,114926-58-8,118473-59-9,135818-55-2) → 7-deoxynogarol (71582-53-1,113532-66-4,116838-50-7) + 7-imidazoyl-7-deoxynogarol (123206-66-6,123285-66-5) + 7-imidazoyl-7-deoxynogarol (123206-66-6,123285-66-5)

Guidance literature:

With 5,5'-bis(hydroxymethyl)-3,3',5,5'-tetramethyl-3,3'-bimorpholine-2,2'-dione; In N,N-dimethyl-formamide; at 25 ℃; for 72h; Yields of byproduct given;

DOI:10.1021/jo00282a024

upstream raw materials:

1H-imidazole

menogaril

Ac-Cys-OMe

menogaril