H-Asp-OMe

Base Information

• Chemical Name: H-Asp-OMe
• CAS No.: 17812-32-7
• Molecular Formula: C₅H₉NO₄
• Molecular Weight: 147.131
• Hs Code.: 2922509090
• European Community (EC) Number: 605-818-7
• DSSTox Substance ID: DTXSID70426394
• Nikkaji Number: J21.806E
• Mol file: 17812-32-7.mol

Synonyms:H-Asp-OMe;17812-32-7;(S)-3-amino-4-methoxy-4-oxobutanoic acid;1-Methyl L-Aspartate;(3S)-3-amino-4-methoxy-4-oxobutanoic acid;L-Aspartic Acid 1-Methyl Ester;(3S)-3-azaniumyl-4-methoxy-4-oxobutanoate;L-Aspartic acid a-methyl ester hcl;l-aspartic acid methyl ester;MFCD00080289;Asp-OMe;SCHEMBL416894;DTXSID70426394;L-Aspartic acid, 1-methyl ester;AMY31364;AKOS016842902;AT23254;CS-W018215;HY-W017499;3-amino-4-methoxy-4-oxo-butanoic acid;AC-19184;DS-13863;M1859;EN300-244995;A812342;(3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid

Chemical Property of H-Asp-OMe

Chemical Property:

• Vapor Pressure: 0.00166mmHg at 25°C
• Melting Point: 186 °C
• Refractive Index: 36 ° (C=0.5, H2O)
• Boiling Point: 272.7 °C at 760 mmHg
• PKA: 3.45±0.19(Predicted)
• Flash Point: 118.7 °C
• PSA: 89.62000
• Density: 1.299 g/cm³
• LogP: -0.33830
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in water
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 147.05315777
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

97% ^*data from raw suppliers

L-Aspartic acid alpha-methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC(=O)O)N
• Isomeric SMILES: COC(=O)[C@H](CC(=O)O)N
• Uses: Aspartic Acid α-Methyl Ester is a derivative of L-Aspartic Acid, a non-essential amino acid found in food sources and dietary supplements. L-Aspartic Acid is one of the 20 proteinogenic amino acids; t he building blocks of proteins. Its conjugate base L-aspartate is an excitatory neurotransmitter in the central nervous system.

Technology Process of H-Asp-OMe

There total 9 articles about H-Asp-OMe 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: 100.0%

(S)-2-Benzyloxycarbonylamino-succinic acid 4-benzyl ester 1-methyl ester (35909-97-8) → H-Asp-OMe (17812-32-7,65414-77-9,65414-78-0,89495-37-4)

Guidance literature:

With palladium on carbon; hydrogen; In methanol; for 3h;

DOI:10.1016/j.tetlet.2011.08.090

Reference yield: 89.0%

methanol (67-56-1) + <(4S)-2,2-bis(trifluoromethyl)-5-oxo-1,3-oxazolidine-4-yl>acetate (131021-87-9) → H-Asp-OMe (17812-32-7,65414-77-9,65414-78-0,89495-37-4)

Guidance literature:

for 0.5h; Heating;

DOI:10.3987/COM-02-S17

Reference yield: 85.0%

N-Formyl-L-aspartic acid α-methyl ester (60504-59-8) → H-Asp-OMe (17812-32-7,65414-77-9,65414-78-0,89495-37-4)

Guidance literature:

With hydroxylamine hydrochloride; In methanol;

upstream raw materials:

methanol

(S)-3-amino-dihydro-furan-2,5-dione; hydrobromide

(S)-2-benzyloxycarbonylamino-succinic acid 1-methyl ester

N-phenacetyl L-aspartic acid α-methyl ester

Downstream raw materials:

C₃₈H₃₇N₃O₇

trifluoroacetic acid

L-aspartic acid β-tert-butyl ester α-methyl ester

C₃₆H₄₀N₄O₈