Ethyl 5-aminovalerate hydrochloride

Base Information

• Chemical Name: Ethyl 5-aminovalerate hydrochloride
• CAS No.: 29840-57-1
• Molecular Formula: C7H15NO2.ClH
• Molecular Weight: 181.663
• Hs Code.: 2922499990
• European Community (EC) Number: 681-699-5
• DSSTox Substance ID: DTXSID90582466
• Mol file: 29840-57-1.mol

Synonyms:29840-57-1;Ethyl 5-aminovalerate hydrochloride;Ethyl 5-aminopentanoate hydrochloride;Ethyl 5-aminopentanoate hcl;ETHYL 5-AMINOVALERATE HCL;ethyl 5-aminopentanoate;hydrochloride;Ethyl 5-aminovalerate, HCl;MFCD12546205;5-aminopentanoic acid ethyl ester hydrochloride;Ethyl5-aminovaleratehydrochloride;Pentanoic acid, 5-amino-, ethyl ester, hydrochloride;5-aminovaleric acid ethyl ester hydrochloride;SCHEMBL3821044;DTXSID90582466;JELXJZASXLHKDV-UHFFFAOYSA-N;ethyl 5-azanylpentanoate hydrochloride;AKOS015895022;AC-6353;CS-W022699;GS-4107;SY105081;5-amino-valeric acid ethyl ester hydrochloride;A26866;EN300-177653;A820070;Ethyl 5-aminopentanoate--hydrogen chloride (1/1);Z1741976369

Chemical Property of Ethyl 5-aminovalerate hydrochloride

Chemical Property:

• Vapor Pressure: 0.0487mmHg at 25°C
• Melting Point: 77-80 °C
• Boiling Point: 232.1oC at 760 mmHg
• Flash Point: 94.2oC
• PSA: 52.32000
• LogP: 2.18080
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 93.6

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 5-aminovalerate, HCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCN.Cl
• Uses: It is employed as intermediate for pharmaceutical.

Technology Process of Ethyl 5-aminovalerate hydrochloride

There total 4 articles about Ethyl 5-aminovalerate hydrochloride 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: 99.0%

ethanol (64-17-5) + 5-aminopentanoic acid (660-88-8) → 5-aminovaleric acid ethyl ester hydrochloride (29840-57-1)

Guidance literature:

With thionyl chloride; at 20 ℃; for 12h;

DOI:10.1016/j.ejmech.2021.113653

Reference yield:

ethyl 5-azidovalerate (89896-39-9) → 5-aminovaleric acid ethyl ester hydrochloride (29840-57-1)

Guidance literature:

With hydrogenchloride; 5%-palladium/activated carbon; hydrogen; In ethanol; water; for 1h; under 1706.63 Torr;

DOI:10.1016/j.tet.2018.04.067

Reference yield:

5-aminopentanoic acid (660-88-8) → 5-aminovaleric acid ethyl ester hydrochloride (29840-57-1)

Guidance literature:

With thionyl chloride; In potassium hydroxide; diethyl ether; ethanol;

upstream raw materials:

ethanol

5-aminopentanoic acid

ethyl 5-bromovalerate

ethyl 5-azidovalerate

Downstream raw materials:

5-benzoylaminopentanoic acid

5-benzoylamino-valeric acid ethyl ester

ethyl 5-(1,3-dimethyl-2,4-dioxo-5-phenyl-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)pentanoate

ethyl 5-({[chloro(triphenyl)phosphoranyl]acetyl}amino)pentanoate

Refernces

• 1、 Olivier, Wesley J.,Gardiner, Michael G.,Bissember, Alex C.,Smith, Jason A.. "Br?nsted acid-mediated annulations of pyrroles featuring N-tethered α,β-unsaturated ketones and esters: Total syntheses of (±)-tashiromine and (±)-indolizidine 209I". . p. 5436 - 5441. Retrieved 2018/05/16.
• 2、 Pachali, Steffen,Hofmann, Christine,Rapp, Georg,Schobert, Rainer,Baro, Angelika,Frey, Wolfgang,Laschat, Sabine. "Stereoselective synthesis of (2E,4Z)-dienamides employing (triphenylphosphoranylidene)ketene". body text. p. 2828 - 2835. Retrieved 2009/09/29.