L-Aspartic acid hydrochloride

Base Information

• Chemical Name: L-Aspartic acid hydrochloride
• CAS No.: 17585-59-0
• Molecular Formula: C4H7NO4^.HCl
• Molecular Weight: 169.565
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID80432507
• Mol file: 17585-59-0.mol

Synonyms:Asparticacid, hydrochloride, L- (8CI);L-Aspartic acid, hydrochloride (9CI);Asparticacid, hydrochloride;

Chemical Property of L-Aspartic acid hydrochloride

Chemical Property:

• Vapor Pressure: 0.000586mmHg at 25°C
• Boiling Point: 288.6 °C at 760 mmHg
• Flash Point: 128.3 °C
• PSA: 100.62000
• LogP: 0.37530
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 169.0141854
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-Aminosuccinicacidhydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:
• Hazard Codes: R34:
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)N)C(=O)O.Cl

Technology Process of L-Aspartic acid hydrochloride

There total 6 articles about L-Aspartic acid 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%

Boc-Asp(OtBu)-OH (1676-90-0) → L-aspartic acid hydrochloride (17585-59-0)

Guidance literature:

With sulfuric acid; sodium chloride; In neat (no solvent); at 20 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1039/d1ob00728a

Reference yield: 95.0%

(3RS,6S)-3-[di(methoxycarbonyl)methyl]-1,6-trimethylene-2,5-piperazinedione (1319113-54-6) → D-aspartic acid hydrochloride (71855-54-4) + L-aspartic acid hydrochloride (17585-59-0) + L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7)

Guidance literature:

With hydrogenchloride; water; at 100 ℃; for 24h;

DOI:10.1016/j.tetasy.2011.05.002

Reference yield: 81.0%

(3RS,6S)-3-[di(methoxycarbonyl)methyl]-6-isopropyl-2,5-piperazinedione → L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + D-aspartic acid hydrochloride (71855-54-4) + L-aspartic acid hydrochloride (17585-59-0)

Guidance literature:

With hydrogenchloride; water; at 100 ℃; for 24h;

DOI:10.1016/j.tetasy.2011.05.002

upstream raw materials:

L-asparagine

(3RS,6S)-3-[di(methoxycarbonyl)methyl]-1,6-trimethylene-2,5-piperazinedione

L-Aspartic acid

Boc-Asp(OtBu)-OH

Downstream raw materials:

(S)-Malic acid

(3S)-3-[(tert-butoxycarbonyl)amino]-4-hydroxybutanoic acid methyl ester

L-Aspartic acid dimethyl ester

Refernces

• 1、 De Borggraeve, Wim M.,Gilles, Philippe,Van Mileghem, Seger,Verschueren, Rik H.. "Solvent-freeN-Boc deprotection byex situgeneration of hydrogen chloride gas". supporting information. p. 5782 - 5787. Retrieved 2021/07/12.
• 2、 Williams, David E.,Austin, Pamela,Diaz-Marrero, Ana R.,Van Soest, Rob,Matainaho, Teatulohi,Roskelley, Calvin D.,Roberge, Michel,Andersen, Raymond J.. "Neopetrosiamides, peptides from the marine sponge Neopetrosia sp. that inhibit amoeboid invasion by human tumor cells". . p. 4173 - 4176. Retrieved 2007/10/03.