Hexanoic acid, 6-[[6-[(6-amino-1-oxohexyl)amino]-1-oxohexyl]amino]-

Base Information

• Chemical Name: Hexanoic acid, 6-[[6-[(6-amino-1-oxohexyl)amino]-1-oxohexyl]amino]-
• CAS No.: 5776-78-3
• Molecular Formula: C18H35N3O4
• Molecular Weight: 357.48800
• Hs Code.: 2924199090
• European Community (EC) Number: 851-454-9
• DSSTox Substance ID: DTXSID60429490
• Nikkaji Number: J2.146.653K
• Wikidata: Q82242520
• Mol file: 5776-78-3.mol

Synonyms:5776-78-3;Hexanoic acid, 6-[[6-[(6-amino-1-oxohexyl)amino]-1-oxohexyl]amino]-;6-(6-(6-aminohexanamido)hexanamido)hexanoic acid;6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoic Acid;6-aminohexanoic acid trimer;6-[6-(6-AMINOHEXANAMIDO)HEXANAMIDO]HEXANOIC ACID;DTXSID60429490;MFCD28899021;EN300-624304;F76915;6-(6-(6-aminohexanamido)hexanamido)hexanoicacid

Chemical Property of Hexanoic acid, 6-[[6-[(6-amino-1-oxohexyl)amino]-1-oxohexyl]amino]-

Chemical Property:

• Melting Point: 218-220 °C
• Boiling Point: 659.8±50.0 °C(Predicted)
• PKA: 4.75±0.10(Predicted)
• PSA: 128.50000
• Density: 1.064±0.06 g/cm3(Predicted)
• LogP: 4.32420
• Storage Temp.: Refrigerator
• Solubility.: Aqueous Acid (Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 17
• Exact Mass: 357.26275661
• Heavy Atom Count: 25
• Complexity: 375

Purity/Quality:

95% ^*data from raw suppliers

6-(6-(6-Aminohexanamido)hexanamido)hexanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCC(=O)NCCCCCC(=O)NCCCCCC(=O)O)CCN
• Uses: 6-(6-(6-Aminohexanamido)hexanamido)hexanoic Acid is used in the making of a preconjugate which serves as immunoreactive conjugate useful as a developer antigen in a competitive inhibition immunoassay for the polymorphic analyte. Also used in the efficient synthesis of a heterobifunctional coupling agent.

Technology Process of Hexanoic acid, 6-[[6-[(6-amino-1-oxohexyl)amino]-1-oxohexyl]amino]-

There total 11 articles about Hexanoic acid, 6-[[6-[(6-amino-1-oxohexyl)amino]-1-oxohexyl]amino]- 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:

6-aminohexanoic acid (60-32-2,93208-38-9) → [4]6-amino-lin-tri[1=>6]hexanoylamino-hexanoic acid (5834-64-0) + 6-(6-aminohexanamido)hexanoic acid (2014-58-6) + 6-[6-(6-amino-hexanoylamino)-hexanoylamino]-hexanoic acid (5776-78-3)

Guidance literature:

With Hyb-24DN; In tert-butyl alcohol; at 30 ℃; pH=7.3; Reagent/catalyst; Solvent; Kinetics; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1016/j.molcatb.2010.02.006

Reference yield:

13-benzyloxycarbonylamino-8-oxo-7-azatridecanoic acid (49701-55-5) → 6-[6-(6-amino-hexanoylamino)-hexanoylamino]-hexanoic acid (5776-78-3)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂

2: CHCl₃; aqueous NaOH

3: Raney nickel / Hydrogenation

With sodium hydroxide; thionyl chloride; chloroform; nickel;

Reference yield:

6-aminohexanoic acid (60-32-2,93208-38-9) → 6-[6-(6-amino-hexanoylamino)-hexanoylamino]-hexanoic acid (5776-78-3)

Guidance literature:

Multi-step reaction with 4 steps

1: CHCl₃; aqueous NaOH

2: SOCl₂

3: CHCl₃; aqueous NaOH

4: Raney nickel / Hydrogenation

With sodium hydroxide; thionyl chloride; chloroform; nickel;

upstream raw materials:

6-(6-aminohexanamido)hexanoic acid

6-phthalimidohexanoyl chloride

6-[6-(6-benzyloxycarbonylamino-hexanoylamino)-hexanoylamino]-hexanoic acid

6-aminohexanoic acid

Refernces