11-(1,3-dioxoisoindol-2-yl)undecanoic Acid

Base Information

• Chemical Name: 11-(1,3-dioxoisoindol-2-yl)undecanoic Acid
• CAS No.: 4403-42-3
• Molecular Formula: C19H25NO4
• Molecular Weight: 331.412
• Hs Code.: 2925190090
• DSSTox Substance ID: DTXSID30374443
• Nikkaji Number: J1.755.991E
• Wikidata: Q82163039
• Mol file: 4403-42-3.mol

Synonyms:4403-42-3;11-(1,3-Dioxoisoindolin-2-yl)undecanoic acid;2H-Isoindole-2-undecanoic acid, 1,3-dihydro-1,3-dioxo-;11-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-undecanoic acid;11-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)undecanoicacid;11-(1,3-dioxoisoindol-2-yl)undecanoic Acid;SBB016642;11-phthalimidoundecanoic acid;11-Phthalimidylundecanoic acid;SCHEMBL4202491;DTXSID30374443;MFCD03425070;AKOS000272469;SB65991;11-(1,3-Dioxoisoindolin-2-yl)undecanoicacid;11-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)undecanoic acid;11-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)undecanoic acid, AldrichCPR

Chemical Property of 11-(1,3-dioxoisoindol-2-yl)undecanoic Acid

Chemical Property:

• PSA: 74.68000
• LogP: 3.81600
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 331.17835828
• Heavy Atom Count: 24
• Complexity: 425

Purity/Quality:

95% ^*data from raw suppliers

11-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-undecanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCCCC(=O)O

Technology Process of 11-(1,3-dioxoisoindol-2-yl)undecanoic Acid

There total 1 articles about 11-(1,3-dioxoisoindol-2-yl)undecanoic Acid 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: 84.0%

phthalic anhydride (85-44-9) + 11-aminoundecanoic acid (2432-99-7,25587-80-8,84029-94-7) → 11-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-undecanoic acid (4403-42-3)

Guidance literature:

at 180 ℃; for 2h;

DOI:10.1007/s10593-021-02929-z

Reference yield: 33.0%

11-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-undecanoic acid (4403-42-3) + 4-[3-(4-{2-[bis-(4-fluoro-phenyl)methoxy]-ethyl}-piperazin-1-yl)-propyl]-phenylamine (616875-76-4) → 11-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-undecanoic acid {4-[3-(4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propyl]-phenyl}-amide (910295-53-3)

Guidance literature:

With 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2006.05.097

Reference yield:

11-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-undecanoic acid (4403-42-3) → 3-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-2-((2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-methyl)propyl-11-(4-iodobenzamido)undecanoate

Guidance literature:

Multi-step reaction with 3 steps

1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane / 0.25 h / 0 °C / Inert atmosphere

1.2: 21 h / 20 °C / Inert atmosphere

2.1: hydrazine hydrate / tetrahydrofuran / 70 °C / Inert atmosphere

3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane / 0.25 h / 0 °C / Inert atmosphere

3.2: 20 °C / Inert atmosphere

With dmap; hydrazine hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; dichloromethane;

DOI:10.1021/ol402788n

upstream raw materials:

phthalic anhydride

11-aminoundecanoic acid

Downstream raw materials:

11-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-undecanoic acid {4-[3-(4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propyl]-phenyl}-amide

11-amino-undecanoic acid {4-[3-(4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propyl]-phenyl}-amide

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