6-(Trifluoroacetamido)hexanoic Acid

Base Information

• Chemical Name: 6-(Trifluoroacetamido)hexanoic Acid
• CAS No.: 407-91-0
• Molecular Formula: C8H12 F3 N O3
• Molecular Weight: 227.183
• NSC Number: 192719
• DSSTox Substance ID: DTXSID50307556
• Nikkaji Number: J2.273.242K
• Wikidata: Q82054988
• Mol file: 407-91-0.mol

Synonyms:6-(N-Trifluoroacetyl)aminocaproic Acid;407-91-0;6-(Trifluoroacetamido)hexanoic Acid;6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;NSC192719;N-(Trifluoroacetyl)-6-aminocaproic acid;SCHEMBL1495260;6-trifluoroacetamidocaproic Acid;6-Trifluoroacetamidohexanoic Acid;DTXSID50307556;NSC-192719;6-(N-(trifluoroacetyl)amino)hexanoic acid;FT-0675497;EN300-932043

Chemical Property of 6-(Trifluoroacetamido)hexanoic Acid

Chemical Property:

• Vapor Pressure: 1.1E-05mmHg at 25°C
• Melting Point: 84-85°C
• Boiling Point: 345.3°Cat760mmHg
• Flash Point: 162.7°C
• PSA: 66.40000
• Density: 1.279g/cm³
• LogP: 1.70080
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform, Ethyl Acetate, Methanol
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 227.07692773
• Heavy Atom Count: 15
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

6-(N-Trifluoroacetyl)aminocaproicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCC(=O)O)CCNC(=O)C(F)(F)F

Technology Process of 6-(Trifluoroacetamido)hexanoic Acid

There total 8 articles about 6-(Trifluoroacetamido)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: 100.0%

ethyl trifluoroacetate, (383-63-1) + 6-aminohexanoic acid (60-32-2,93208-38-9) → 6-(trifluoroacetamido)hexanoic acid (407-91-0)

Guidance literature:

With triethylamine; In methanol; at 20 ℃; for 17h; Inert atmosphere;

Reference yield: 100.0%

trifluoroacetic acid-methyl ester (431-47-0) + 6-aminohexanoic acid (60-32-2,93208-38-9) → 6-(trifluoroacetamido)hexanoic acid (407-91-0)

Guidance literature:

With triethylamine; In methanol; for 8h;

Reference yield: 98.0%

trifluoroacetic anhydride (407-25-0) + 6-aminohexanoic acid (60-32-2,93208-38-9) → 6-(trifluoroacetamido)hexanoic acid (407-91-0)

Guidance literature:

In acetonitrile; at 80 ℃; for 3h;

DOI:10.1021/acs.jmedchem.5b01948

upstream raw materials:

S-ethyl trifluoroacetate

6-aminohexanoic acid

trifluoroacetic anhydride

ethyl trifluoroacetate,

Downstream raw materials:

N-ε-trifluoroacetylaminohexanoic acid N-hydroxysuccinimide ester

2-<4-(6-N-trifluoroacetylaminohexanoyl)aminophenyl>benzoxazole

N-(6-(1-benzyl-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-8(9H)-yl)-6-oxohexyl)-4-[18F]fluorobenzamide

32-(8-(6-(4-[18F]fluorobenzamido)hexanoyl)-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo-[4,5-d]azocin-1-yl)-5-oxo-3,9,12,15,18,21,24,27,30-nonaoxa-6-azadotriacontan-1-oic acid

Refernces

• 1、 -. "OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF". Paragraph 00757; 00759. . Retrieved 2021/11/26.
• 2、 Prakash, Thazha P.,Yu, Jinghua,Migawa, Michael T.,Kinberger, Garth A.,Wan, W. Brad,?stergaard, Michael E.,Carty, Recaldo L.,Vasquez, Guillermo,Low, Audrey,Chappell, Alfred,Schmidt, Karsten,Aghajan, Mariam,Crosby, Jeff,Murray, Heather M.,Booten, Sheri L.,Hsiao, Jill,Soriano, Armand,MacHemer, Todd,Cauntay, Patrick,Burel, Sebastien A.,Murray, Susan F.,Gaus, Hans,Graham, Mark J.,Swayze, Eric E.,Seth, Punit P.. "Comprehensive Structure-Activity Relationship of Triantennary N-Acetylgalactosamine Conjugated Antisense Oligonucleotides for Targeted Delivery to Hepatocytes". supporting information. p. 2718 - 2733. Retrieved 2016/04/10.