[(9E,19E,21Z)-26-(ethylaminomethyl)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

Base Information

• Chemical Name: [(9E,19E,21Z)-26-(ethylaminomethyl)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
• CAS No.: 38129-09-8
• Molecular Formula: C₄₀H₅₄N₂O₁₂
• Molecular Weight: 754.875
• NSC Number: 145634,269422
• DSSTox Substance ID: DTXSID40418443
• Mol file: 38129-09-8.mol

Synonyms:38129-09-8;NSC145634;DTXSID40418443;NSC269422;NSC-145634;NSC-269422;(12Z,14E,24E)-8-[(Ethylamino)methyl]-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate

Chemical Property of [(9E,19E,21Z)-26-(ethylaminomethyl)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

Chemical Property:

• Vapor Pressure: 4.02E-33mmHg at 25°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 754.36767516
• Heavy Atom Count: 54
• Complexity: 1420

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNCC1=C2C(=C3C(=C1O)C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)N2)C)C)O)C)O)C)OC(=O)C)C)OC)C)O
• Isomeric SMILES: CCNCC1=C2C(=C3C(=C1O)C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)N2)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O

Technology Process of [(9E,19E,21Z)-26-(ethylaminomethyl)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

There total 1 articles about [(9E,19E,21Z)-26-(ethylaminomethyl)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate 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:

ethylamine (75-04-7,85404-22-4) + 3-formylrifamycin SV (13292-22-3) → 3-(ethylamino-methyl)-rifamycin (38129-09-8)

Guidance literature:

Multistep reaction; (i) HCl, MeOH, (ii) /BRN= 5403847/, NaBH₃CN;

DOI:10.1021/jm00220a009

upstream raw materials:

ethylamine

3-formylrifamycin SV