7-Dis-O-methylnogarol

Base Information

• Chemical Name: 7-Dis-O-methylnogarol
• CAS No.: 64267-47-6
• Molecular Formula: C₂₈H₃₁NO₁₀
• Molecular Weight: 541.555
• Mol file: 64267-47-6.mol

Synonyms:7-Dis-O-methylnogarol;64267-47-6;2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-9,16-dione, 3,4,5,6,11,12,13,14-octahydro-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-, (2-alpha,3-beta,4-alpha,5-beta,6-alpha,11-alpha,13-alpha)-

Chemical Property of 7-Dis-O-methylnogarol

Chemical Property:

• Vapor Pressure: 5.17E-27mmHg at 25°C
• Boiling Point: 800.1°Cat760mmHg
• Flash Point: 437.7°C
• PSA: 166.22000
• Density: 1.59g/cm³
• LogP: 0.87380
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 541.19479619
• Heavy Atom Count: 39
• Complexity: 1020

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C2=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)OC)O
• Isomeric SMILES: C[C@@]12[C@H]([C@H]([C@H]([C@@H](O1)OC3=C4C(=C(C=C23)O)C(=O)C5=C(C4=O)C=C6CC(C[C@@H](C6=C5O)OC)(C)O)O)N(C)C)O

Technology Process of 7-Dis-O-methylnogarol

There total 1 articles about 7-Dis-O-methylnogarol 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: 70.0%

C36H47NO14 (135708-65-5) → 7-con-O-methylnogarol (64267-47-6,71628-96-1,105119-19-5,111688-19-8,114926-58-8,118473-59-9,135818-55-2)

Guidance literature:

With hydrogenchloride; In acetic acid; at 45 ℃; for 4h;

DOI:10.1021/jo00018a006

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

Reference yield: 15.0%

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) + Bi(7-deoxynogarol-7-yl) (119296-78-5)

Guidance literature:

With tris hydrochloride; bis(3,5,5-trimethyl-2-oxomorpholin-3-yl); 2-amino-2-hydroxymethyl-1,3-propanediol; In methanol; Ambient temperature;

DOI:10.1021/ja00218a070

upstream raw materials:

C₃₆H₄₇NO₁₄

Downstream raw materials:

7-deoxynogarol

7-imidazoyl-7-deoxynogarol

7-imidazoyl-7-deoxynogarol

7-(N-Acetyl-L-cysteinyl)-7-deoxynogarol methyl ester