Antimycin A4b

Base Information

• Chemical Name: Antimycin A4b
• CAS No.: 117603-45-9
• Molecular Formula: C25H34 N2 O9
• Molecular Weight: 506.553
• UNII: WD7Q41KD4C
• DSSTox Substance ID: DTXSID10151835
• Nikkaji Number: J362.689J
• Wikidata: Q27292570
• Mol file: 117603-45-9.mol

Synonyms:Antimycin A4b;UNII-WD7Q41KD4C;117603-45-9;WD7Q41KD4C;Butanoic acid, 8-butyl-3-((3-(formylamino)-2-hydroxybenzoyl)amino)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, (2R-(2R*,3S*,6S*,7R*,8R*))-;[(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] butanoate;DTXSID10151835;CHEBI:221679;AKOS040755868;Q27292570;[(2R,3S,6S,7R,8R)-8-butyl-3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] butanoate;BUTANOIC ACID, 8-BUTYL-3-((3-(FORMYLAMINO)-2-HYDROXYBENZOYL)AMINO)-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL ESTER, (2R,3S,6S,7R,8R)-

Chemical Property of Antimycin A4b

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 506.22643067
• Heavy Atom Count: 36
• Complexity: 790

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CCC
• Isomeric SMILES: CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CCC

Technology Process of Antimycin A4b

There total 14 articles about Antimycin A4b 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:

C32H40N2O9 → antimycin A4b (117603-45-9)

Guidance literature:

With palladium on carbon; hydrogen; In ethyl acetate; at 20 ℃; for 2h; under 760.051 Torr;

DOI:10.1002/ejoc.201100034

Reference yield:

C20H30O5 (931581-19-0) → antimycin A4b (117603-45-9)

Guidance literature:

Multi-step reaction with 12 steps

1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 0 - 20 °C

2: water; 2,3-dicyano-5,6-dichloro-p-benzoquinone / dichloromethane / 0.5 h / 20 °C

3: dmap; triethylamine / toluene / 16 h / 0 - 20 °C

4: hydrogenchloride; water / ethanol / 24 h / 20 °C

5: pyrrolidine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triphenylphosphine / acetonitrile / 7 h / 0 - 20 °C

6: triphenylphosphine / toluene / 3 h / 20 °C

7: copper(I) trifluoromethanesulfonate benzene / benzene / 3 h / 80 °C

8: pyridine hydrogenfluoride / tetrahydrofuran / 3 h / 20 °C

9: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C

10: palladium on carbon; hydrogen / tetrahydrofuran / 2 h / 20 °C / 760.05 Torr / Darkness

11: 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 24 h / 20 °C

12: palladium on carbon; hydrogen / ethyl acetate / 2 h / 20 °C / 760.05 Torr

With pyrrolidine; 4-methyl-morpholine; hydrogenchloride; dmap; tetrakis(triphenylphosphine) palladium⁽⁰⁾; copper(I) trifluoromethanesulfonate benzene; palladium on carbon; water; hydrogen; benzotriazol-1-ol; pyridine hydrogenfluoride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; toluene; acetonitrile; benzene;

DOI:10.1002/ejoc.201100034

Reference yield:

C29H50O5Si (931581-20-3) → antimycin A4b (117603-45-9)

Guidance literature:

Multi-step reaction with 11 steps

1: water; 2,3-dicyano-5,6-dichloro-p-benzoquinone / dichloromethane / 0.5 h / 20 °C

2: dmap; triethylamine / toluene / 16 h / 0 - 20 °C

3: hydrogenchloride; water / ethanol / 24 h / 20 °C

4: pyrrolidine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triphenylphosphine / acetonitrile / 7 h / 0 - 20 °C

5: triphenylphosphine / toluene / 3 h / 20 °C

6: copper(I) trifluoromethanesulfonate benzene / benzene / 3 h / 80 °C

7: pyridine hydrogenfluoride / tetrahydrofuran / 3 h / 20 °C

8: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C

9: palladium on carbon; hydrogen / tetrahydrofuran / 2 h / 20 °C / 760.05 Torr / Darkness

10: 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 24 h / 20 °C

11: palladium on carbon; hydrogen / ethyl acetate / 2 h / 20 °C / 760.05 Torr

With pyrrolidine; 4-methyl-morpholine; hydrogenchloride; dmap; tetrakis(triphenylphosphine) palladium⁽⁰⁾; copper(I) trifluoromethanesulfonate benzene; palladium on carbon; water; hydrogen; benzotriazol-1-ol; pyridine hydrogenfluoride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; toluene; acetonitrile; benzene;

DOI:10.1002/ejoc.201100034

upstream raw materials:

C₂₀H₃₀O₅

C₂₉H₅₀O₅Si

C₂₁H₄₂O₄Si

C₃₉H₆₉NO₈Si₂

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 117603-45-9 Butanoic acid,8-butyl-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylester, (2R,3S,6S,7R,8R)- (9CI)

Send

Send

Metric Ton KG G Pound L ML

Send

Send