N-(5-Hydroxypentyl)trifluoroacetamide

Base Information

• Chemical Name: N-(5-Hydroxypentyl)trifluoroacetamide
• CAS No.: 128238-44-8
• Molecular Formula: C7H12F3NO2
• Molecular Weight: 199.173
• Hs Code.: 2924199090
• European Community (EC) Number: 621-300-3
• DSSTox Substance ID: DTXSID60403497
• Nikkaji Number: J1.272.382B
• Wikidata: Q82207179
• Mol file: 128238-44-8.mol

Synonyms:128238-44-8;N-(5-Hydroxypentyl)trifluoroacetamide;2,2,2-trifluoro-N-(5-hydroxypentyl)acetamide;5-(trifluoroacetylamino)-1-pentanol;5-Trifluoroacetamido-1-pentanol;Acetamide, 2,2,2-trifluoro-N-(5-hydroxypentyl)-;5-trifluoroacetamido-pentanol;SCHEMBL2994990;DTXSID60403497;N-trifluoroacetyl-5-amino pentanol;AKOS015909979;J-005576;N-(5-Hydroxypentyl)trifluoroacetamide, >=98.0% (GC)

Chemical Property of N-(5-Hydroxypentyl)trifluoroacetamide

Chemical Property:

• Vapor Pressure: 0.000758mmHg at 25°C
• Refractive Index: n20/D 1.420
• Boiling Point: 273 °C at 760 mmHg
• Flash Point: 118.9 °C
• PSA: 49.33000
• Density: 1.215 g/cm³
• LogP: 1.21840
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 199.08201311
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

N-(5-Hydroxypentyl)trifluoroacetamide ≥98.0% (GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(5-Hydroxypentyl)trifluoroacetamide

There total 5 articles about N-(5-Hydroxypentyl)trifluoroacetamide 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: 98.0%

5-hydroxypentylamine (2508-29-4) + trifluoroacetic acid-methyl ester (431-47-0) → 2,2,2-trifluoro-N-(5-hydroxypentyl)acetamide (128238-44-8)

Guidance literature:

With N,N,N',N'-tetramethylguanidine; In dichloromethane; at 5 - 20 ℃; for 17h;

DOI:10.3891/acta.chem.scand.53-0473

Reference yield: 96.0%

5-hydroxypentylamine (2508-29-4) + trifluoroacetic anhydride (407-25-0) → 2,2,2-trifluoro-N-(5-hydroxypentyl)acetamide (128238-44-8)

Guidance literature:

With triethylamine; In methanol; for 16h;

DOI:10.1002/ejoc.201800239

Reference yield: 94.0%

→ 2,2,2-trifluoro-N-(5-hydroxypentyl)acetamide (128238-44-8)

Guidance literature:

upstream raw materials:

5-hydroxypentylamine

trifluoroacetic anhydride

trifluoroacetic acid-methyl ester

ethyl trifluoroacetate,

Downstream raw materials:

indolizidin-3-one

3'-azido-3'-deoxy-5'-O-[(bis-benzyloxyphosphorylmethyl)benzyloxyphosphoryl]-N³-{1-[5-(2,2,2-trifluoro-acetylamino)pentyl]}thymidine

3'-azido-3'-deoxy-5'-O-(bis-benzyloxy-phosphoryl)-N³-{1-[5-(2,2,2-trifluoro-acetylamino)pentyl]}thymidine

3'-azido-3'deoxy-5'-O{[(bis-benzyloxyphosphorylmethyl)benzyloxyphosphorylmethyl]benzyloxyphosphoryl}-N³-{1-[5-(2,2,2-trifluoroacetylamino)pentyl]}thymidine

Refernces

• 1、 Hu, Qu-Ping,Cheng, Jing,Wang, Ying,Shi, Jie,Wang, Bi-Qin,Hu, Ping,Zhao, Ke-Qing,Pan, Fei. "Remote Regioselective Radical C-H Functionalization of Unactivated C-H Bonds in Amides: The Synthesis of gem-Difluoroalkenes". supporting information. p. 4457 - 4462. Retrieved 2021/05/26.
• 2、 -. "METHODS AND COMPOSITIONS RELATING TO BIODEGRADABLE EPOXY ELASTOMERS". Page/Page column 19. . Retrieved 2013/11/05.