Methyl 5-amino-4-oxovalerate hydrochloride

Base Information

• Chemical Name: Methyl 5-amino-4-oxovalerate hydrochloride
• CAS No.: 79416-27-6
• Molecular Formula: C6H11NO3^.HCl
• Molecular Weight: 181.619
• Hs Code.: 29225090
• European Community (EC) Number: 279-151-1
• Metabolomics Workbench ID: 61219
• Mol file: 79416-27-6.mol

Synonyms:methyl 5-aminolevulinate HCl;Methyl 5-amino-4-oxovalerate hydrochloride;methyl delta-aminolevulinate HCl;methyl 5-amino-4-oxovalerate HCl;Methyl delta-aminolevulinate hydrochloride;5-methoxy-2,5-dioxopentan-1-aminium chloride;CHEBI:60641;AKOS015900023;LS-186493

Chemical Property of Methyl 5-amino-4-oxovalerate hydrochloride

Chemical Property:

• Vapor Pressure: 0.0754mmHg at 25°C
• Melting Point: 119-121°
• Boiling Point: 228°C at 760 mmHg
• Flash Point: 99.5°C
• PSA: 69.39000
• LogP: 0.96970
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive/Hygroscopic
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Water Solubility.: very faint turbidity
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 181.0505709
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

5-AminolevulinicAcidMethylEsterHydrochloride ^*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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)CCC(=O)C[NH3+].[Cl-]
• Uses: 5-Aminolevulinic acid methyl ester hydrochloride is used in photodynamic therapy.

Technology Process of Methyl 5-amino-4-oxovalerate hydrochloride

There total 7 articles about Methyl 5-amino-4-oxovalerate 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: 86.3%

methanol (67-56-1) + 5-aminolevulinic acid hydrochloride (5451-09-2) → methyl aminolevulinate (79416-27-6)

Guidance literature:

With thionyl chloride; at 20 ℃; for 30h;

Reference yield:

5-aminolevulinic acid hydrochloride (5451-09-2) → methyl aminolevulinate (79416-27-6)

Guidance literature:

With hydrogenchloride; In methanol;

Reference yield:

methanol (67-56-1) + ALA (106-60-5) → methyl aminolevulinate (79416-27-6)

Guidance literature:

With thionyl chloride; at 60 ℃; for 5h;

DOI:10.1562/0031-8655(2001)074<0721:TEOAAE>2.0.CO;2

upstream raw materials:

methanol

5-aminolevulinic acid hydrochloride

ALA

methyl 5-bromo-4-oxopentanoate

Downstream raw materials:

5-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-4-oxo-pentanoic acid methyl ester

methyl 5-(4-methylphenylsulfonamido)-4-oxopentanoate

13-cyclohexyl-6-[(5-methoxy-2,5-dioxopentyl)amino]carbonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid methyl ester

N-(N(α)-tert-butoxycarbonyl-N(τ)-(trityl)-L-histidyl)-5-aminolaevulinic acid methyl ester

Refernces

• 1、 -. "5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS". Paragraph 0359. . Retrieved 2016/07/27.
• 2、 Dabrowski, Zbigniew,Kwasny, Miroslaw,Kaminski, Jaroslaw,Beldowicz, Maria,Lewicka, Lidia,Obukowicz, Bozena,Kaliszewski, Miron,Pirozynska, Ewa. "The synthesis and applications of 5-aminolevulinic acid (ALA) derivatives in photodynamic therapy and photodiagnosis". . p. 219 - 224. Retrieved 2007/10/03.