Ethyl 3-aminoheptanoate

Base Information

Chemical Name:Ethyl 3-aminoheptanoate
CAS No.:78221-22-4
Molecular Formula:C₉H₁₉NO₂
Molecular Weight:173.255
Hs Code.:2922499990
DSSTox Substance ID:DTXSID50505656
Mol file:78221-22-4.mol

Synonyms:Ethyl 3-aminoheptanoate;78221-22-4;CHEMBRDG-BB 4012460;SCHEMBL4934729;DTXSID50505656;AKOS006281239;CS-0297369;FT-0766120;EN300-1286167

Suppliers and Price of Ethyl 3-aminoheptanoate

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

American Custom Chemicals Corporation
ETHYL-3-AMINOHEPTANOATE 95.00%
5MG
$ 495.04

Total 7 raw suppliers

Chemical Property of Ethyl 3-aminoheptanoate

Chemical Property:

Vapor Pressure:0.041mmHg at 25°C
Boiling Point:239°C at 760 mmHg
Flash Point:104.8°C
PSA：52.32000
Density:0.938g/cm³
LogP:2.15740
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:173.141578849
Heavy Atom Count:12
Complexity:126

Purity/Quality:

99% ^*data from raw suppliers

ETHYL-3-AMINOHEPTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(CC(=O)OCC)N

Technology Process of Ethyl 3-aminoheptanoate

There total 4 articles about Ethyl 3-aminoheptanoate 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:

: 142342-64-1
3-[Benzyl-((R)-2-hydroxy-1-phenyl-ethyl)-amino]-heptanoic acid ethyl ester

: 142342-75-4
(R)-3-Amino-heptanoic acid ethyl ester

: 78221-22-4,142342-75-4
(S)-3-Amino-heptanoic acid ethyl ester

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; under 6750.5 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;
DOI:10.1016/S0040-4039(00)78889-7

Reference yield:

: 80914-15-4
N-Pentanethioyl-acetamide

: 78221-22-4
ethyl 3-aminoheptanoate

Guidance literature:: Multi-step reaction with 3 steps

1: 64 percent / benzene / 16 h / Heating

2: 95 percent / H₂ / PtO₂ / acetic acid; ethyl acetate / 2 h / 760 Torr / Ambient temperature

3: 1.) 12N HCl; 2.) SOCl₂ / 1.) acetic acid, 110 degC, 48h; 2.) 1h, room temp.; 6h, 40 degC

With hydrogenchloride; thionyl chloride; hydrogen; platinum(IV) oxide; In acetic acid; ethyl acetate; benzene;

Reference yield:

: 80914-20-1
3-Acetylamino-2-heptensaeure-methylester

: 78221-22-4
ethyl 3-aminoheptanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / H₂ / PtO₂ / acetic acid; ethyl acetate / 2 h / 760 Torr / Ambient temperature

2: 1.) 12N HCl; 2.) SOCl₂ / 1.) acetic acid, 110 degC, 48h; 2.) 1h, room temp.; 6h, 40 degC

With hydrogenchloride; thionyl chloride; hydrogen; platinum(IV) oxide; In acetic acid; ethyl acetate;