3-Amino-4-methoxy-4-oxobutanoic acid

Base Information

• Chemical Name: 3-Amino-4-methoxy-4-oxobutanoic acid
• CAS No.: 65414-77-9
• Molecular Formula: C5H9NO4
• Molecular Weight: 147.131
• Hs Code.: 2922509090
• NSC Number: 120023
• DSSTox Substance ID: DTXSID00298001
• Mol file: 65414-77-9.mol

Synonyms:H-DL-Asp-OMe;65414-77-9;3-amino-4-methoxy-4-oxobutanoic acid;DL-Aspartic acid alpha-methyl ester;D-Aspartic acid alpha-methyl ester;MFCD00080289;MFCD03424227;NSC120023;DL-Asp-OMe;Aspartic acid,1-methylester;h-DL-asp-ome, AldrichCPR;DL-Aspartic acid methyl ester;SCHEMBL996039;D-Aspartic acid 1-methyl ester;DTXSID00298001;MFCD00237858;AKOS006349257;DS-7896;NSC-120023;SY026157;SY076701;CS-0101210;FT-0652141;FT-0686500;FT-0698763;EN300-156637;A851367;A867674;L-Alanine-7-amido-4-methylcoumarintrifluoroacetatesalt

Chemical Property of 3-Amino-4-methoxy-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 0.00166mmHg at 25°C
• Refractive Index: 1.477
• Boiling Point: 272.7 °C at 760 mmHg
• Flash Point: 118.7 °C
• PSA: 89.62000
• Density: 1.299 g/cm³
• LogP: -0.33830
• Storage Temp.: 2-8°C
• 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:

99% ^*data from raw suppliers

H-DL-Asp-OMe ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC(=O)O)N

Technology Process of 3-Amino-4-methoxy-4-oxobutanoic acid

There total 9 articles about 3-Amino-4-methoxy-4-oxobutanoic acid 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:

C₃₀H₂₉N₃O₆

C₃₁H₃₁N₃O₆

C₃₅H₃₉N₃O₆

C₃₇H₄₁N₃O₈

Refernces

• 1、 Zhang, Ting-Jian,Li, Song-Ye,Yuan, Wei-Yan,Zhang, Yi,Meng, Fan-Hao. "Design, synthesis, and molecular docking studies of N-(9,10-anthraquinone-2-carbonyl)amino acid derivatives as xanthine oxidase inhibitors". . p. 893 - 901. Retrieved 2018/03/21.
• 2、 -. "Parietic acid derivative and its synthesis and use". Paragraph 0026-0028. . Retrieved 2017/04/03.