Agn-PC-0ND09F

Base Information

• Chemical Name: Agn-PC-0ND09F
• CAS No.: 42843-95-8
• Molecular Formula: C28H34O2P.I
• Molecular Weight: 560.455
• DSSTox Substance ID: DTXSID20448647
• Mol file: 42843-95-8.mol

Synonyms:AGN-PC-0ND09F;42843-95-8;DTXSID20448647

Chemical Property of Agn-PC-0ND09F

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 560.13411
• Heavy Atom Count: 32
• Complexity: 442

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

Technology Process of Agn-PC-0ND09F

There total 2 articles about Agn-PC-0ND09F 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: 97.0%

methyl 9-iodononanoate (75452-47-0) + triphenylphosphine (603-35-0) → <8-(methoxycarbonyl)octyl>triphenylphosphonium iodide (42843-95-8)

Guidance literature:

In acetonitrile; for 36h; Heating;

Reference yield:

azelaic monomethyl ester (2104-19-0) → <8-(methoxycarbonyl)octyl>triphenylphosphonium iodide (42843-95-8)

Guidance literature:

Multi-step reaction with 3 steps

1: borane-THF / tetrahydrofuran / 2 h / -10 - 20 °C

2: triphenylphosphine; 1H-imidazole; iodine / dichloromethane / 2 h / 0 - 20 °C

3: acetonitrile / Reflux

With 1H-imidazole; borane-THF; iodine; triphenylphosphine; In tetrahydrofuran; dichloromethane; acetonitrile;

DOI:10.1039/c7ob02291c

Reference yield: 56.0%

<8-(methoxycarbonyl)octyl>triphenylphosphonium iodide (42843-95-8) + (2S)-N-<(benzyloxy)carbonyl>-2-(formylmethyl)piperidine (143264-54-4) → methyl <11(2S)>-11-<2-piperidinyl>>-9-undecenoate (164365-86-0)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 ℃;

DOI:10.1039/c39950001015

upstream raw materials:

methyl 9-iodononanoate

triphenylphosphine

azelaic monomethyl ester

Downstream raw materials:

(Z)-10-[4-(2,2,2-Trifluoro-acetylamino)-phenyl]-dec-9-enoic acid methyl ester

13-oxo-(9Z,11E)-octadecadien-1-oic acid methyl ester

methyl <11(2S)>-11-<2-piperidinyl>>-9-undecenoate

methyl coriolate

Refernces

• 1、 Bai,Bo,Zhou. "A facile and efficient method for macrolactamization". . p. 2161 - 2164. Retrieved 2007/10/02.