6-(4-Acetamido-1,8-naphthalamido)hexanoic acid

Base Information

• Chemical Name: 6-(4-Acetamido-1,8-naphthalamido)hexanoic acid
• CAS No.: 172227-59-7
• Molecular Formula: C₂₀H₂₀N₂O₅
• Molecular Weight: 368.389
• DSSTox Substance ID: DTXSID60408987
• Nikkaji Number: J1.173.939C
• Wikidata: Q82214621
• Mol file: 172227-59-7.mol

Synonyms:172227-59-7;6-(4-Acetamido-1,8-naphthalamido)hexanoic acid;6-(4-acetamido-1 8-naphthalamido) hexano;6-(6-acetamido-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoic acid;DTXSID60408987;MFCD04040049;8-Hydroxy-2-Naphthalenecarboxaldehyde;AKOS015894370;6-(4-Acetamido-1,8-phthalamido) hexanoic acid;6-(4-Acetamido-1,8-naphthalamido) hexanoic acid;J-100013;1H-Benz[de]isoquinoline-2(3H)-hexanoic acid, 6-(acetylamino)-1,3-dioxo-;1H-Benz[de]isoquinoline-2(3H)-hexanoicacid,6-(acetylamino)-1,3-dioxo-;6-(4-Acetamido-1,8-naphthalamido)hexanoic acid, BioReagent, suitable for fluorescence, >=95.0% (HPCE)

Chemical Property of 6-(4-Acetamido-1,8-naphthalamido)hexanoic acid

Chemical Property:

• Vapor Pressure: 1.09E-19mmHg at 25°C
• Refractive Index: 1.662
• Boiling Point: 684.7°C at 760 mmHg
• Flash Point: 367.9°C
• PSA: 108.96000
• Density: 1.374g/cm³
• LogP: 3.20560
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 368.13722174
• Heavy Atom Count: 27
• Complexity: 620

Purity/Quality:

98.5% ^*data from raw suppliers

6-(4-Acetamido-1,8-naphthalamido)hexanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCCCC(=O)O
• Uses: 6-(4-ACETAMIDO-1 8-NAPHTHALAMIDO) HEXANO is used for the study of in situ hydridization with labeled complementary synthetic oligonucleotides (ODNs).

Technology Process of 6-(4-Acetamido-1,8-naphthalamido)hexanoic acid

There total 10 articles about 6-(4-Acetamido-1,8-naphthalamido)hexanoic 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: 64.0%

acetic anhydride (108-24-7) + 6-(6-amino-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexanoic acid (172227-58-6) → 6-(6-acetylamino-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)hexanoic acid (172227-59-7)

Guidance literature:

With pyridine; at 80 ℃; for 0.75h;

Reference yield: 62.0%

4-acetylaminonaphthalic-1,8-anhydride (26558-91-8) + 6-aminohexanoic acid (60-32-2,93208-38-9) → 6-(6-acetylamino-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)hexanoic acid (172227-59-7)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; at 150 ℃;

DOI:10.1016/S0960-894X(99)00422-9

Reference yield: 55.0%

acetyl chloride (75-36-5) + 6-(6-amino-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexanoic acid (172227-58-6) → 6-(6-acetylamino-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)hexanoic acid (172227-59-7)

Guidance literature:

With pyridine; In acetonitrile; for 6h;

DOI:10.1007/s10895-016-1835-y

upstream raw materials:

acetic anhydride

6-(6-amino-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexanoic acid

4-acetylaminonaphthalic-1,8-anhydride

6-aminohexanoic acid