epsilon-Aminocaproic acid hexyl ester

Base Information

Chemical Name:epsilon-Aminocaproic acid hexyl ester
CAS No.:372-52-1
Molecular Formula:C₁₂H₂₅NO₂
Molecular Weight:215.336
Hs Code.:2922499990
DSSTox Substance ID:DTXSID80190690
Nikkaji Number:J231.687K
Wikidata:Q83063068
ChEMBL ID:CHEMBL4778294
Mol file:372-52-1.mol

Synonyms:epsilon-aminocaproic acid hexyl ester;epsilon-aminocaproic acid hexyl ester, tosylate;epsilon-aminocaproic acid, hexyl ester, hydrochloride;hexyl epsilon-aminocaproate

Suppliers and Price of epsilon-Aminocaproic acid hexyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of epsilon-Aminocaproic acid hexyl ester

Chemical Property:

Vapor Pressure:0.00251mmHg at 25°C
Boiling Point:287.3°Cat760mmHg
Flash Point:145.2°C
PSA：52.32000
Density:0.921g/cm³
LogP:3.32930
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:11
Exact Mass:215.188529040
Heavy Atom Count:15
Complexity:149

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCOC(=O)CCCCCN

Technology Process of epsilon-Aminocaproic acid hexyl ester

There total 2 articles about epsilon-Aminocaproic acid hexyl ester 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:

: 40772-92-7
ε-aminocaproyl chloride hydrochloride

: 111-27-3
hexan-1-ol

: 372-52-1
6-amino-n-caproic acid n-hexyl ester

Guidance literature:: With triethylamine; In chloroform; at 40 ℃; for 0.5h; Yield given;

Reference yield:

: 4321-58-8
6-aminohexanoic acid hydrochloride

: 372-52-1
6-amino-n-caproic acid n-hexyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 0.33 h / 40 °C

2: 2.) NEt₃ / CHCl₃ / 0.5 h / 40 °C

With thionyl chloride; triethylamine; In chloroform;

Reference yield:

: 372-52-1
6-amino-n-caproic acid n-hexyl ester

: 244055-05-8
6-[N-(4-nitrobenzyl)-N-propyl]-amino caproic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 16 percent / NaBH₃CN / acetic acid; methanol / 48 h / 20 °C

2: 94 percent / aq. NaOH / methanol / 1 h

3: 22 percent / Et₃N / methanol / 48 h

With sodium hydroxide; sodium cyanoborohydride; triethylamine; In methanol; acetic acid; 1: Addition / 2: Hydrolysis / 3: Alkylation;
DOI:10.1016/S0968-0896(99)00026-7