2-Amino-4-methoxy-4-oxobutanoic acid hydrochloride

Base Information

• Chemical Name: 2-Amino-4-methoxy-4-oxobutanoic acid hydrochloride
• CAS No.: 1835-52-5
• Molecular Formula: C5H10ClNO4
• Molecular Weight: 183.592
• Hs Code.: 2922509090
• European Community (EC) Number: 217-399-4
• NSC Number: 118528
• Mol file: 1835-52-5.mol

Synonyms:1835-52-5;2-amino-4-methoxy-4-oxobutanoic acid hydrochloride;DL-Aspartic acid beta-methyl ester hydrochloride;MFCD00214167;2-amino-4-methoxy-4-oxobutanoic acid;hydrochloride;MFCD00038972;H-DL-Asp(OMe)-OH . HCl;4-Methyl hydrogen DL-aspartate HCl;EINECS 217-399-4;4-Methyl hydrogen DL-aspartate hydrochloride;H-DL-Asp(OMe)-OH-HCl;SCHEMBL6506409;METHANESULFONICACIDANILINE;WLZ2835;QRBMPUYOGOCYDJ-UHFFFAOYSA-N;NSC118528;AKOS016353048;NSC-118528;AS-12773;SY030362;SY113561;2-Amino-4-methoxy-4-oxobutanoic acid HCl;AM20090073;CS-0079863;FT-0601126;EN300-19961;Aspartic acid,4-methylester,hydrochloride(9ci);2-amino-4-methoxy-4-oxobutanoicacidhydrochloride;A810986;A850513;DL-Aspartic acid beta -methyl ester hydrochloride;J-011757;2-amino-3-methoxycarbonyl-propionic acid hydrochloride;2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid hydrochloride;2-Amino-4-methoxy-4-oxobutanoic acid HCl (H-DL-Asp(OMe)-OH.HCl);DL-Asparticacid4-methylesterHCl;Kaur-16-en-15-one,1-(acetyloxy)-7,20-epoxy-6,7-dihydroxy-, (1a,6b,7a)- (9CI)

Chemical Property of 2-Amino-4-methoxy-4-oxobutanoic acid hydrochloride

Chemical Property:

• Vapor Pressure: 8E-05mmHg at 25°C
• Melting Point: 196-200 °C
• Boiling Point: 329 °C at 760 mmHg
• Flash Point: 152.8 °C
• PSA: 89.62000
• LogP: 0.46370
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 183.0298355
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-amino-4-methoxy-4-oxobutanoicacidhydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Amino-4-methoxy-4-oxobutanoic acid hydrochloride

There total 2 articles about 2-Amino-4-methoxy-4-oxobutanoic 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: 98.0%

methanol (67-56-1) + aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → L-Aspartic acid beta-methyl ester hydrochloride (1835-52-5)

Guidance literature:

methanol; With acetyl chloride; at 0 ℃; for 1h;

aspartic Acid; With hydrogenchloride; at 0 - 20 ℃;

DOI:10.1021/acs.orglett.8b01960

Reference yield:

aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → L-Aspartic acid beta-methyl ester hydrochloride (1835-52-5)

Guidance literature:

DOI:10.1039/jr9510002294

Reference yield: 86.0%

L-Aspartic acid beta-methyl ester hydrochloride (1835-52-5) + hydrocinnamic acid chloride (645-45-4) → 2-(3-phenyl-propionylamino)-succinic acid 4-methyl ester

Guidance literature:

With sodium carbonate; In methanol; acetone; at 0 - 20 ℃;

DOI:10.1021/jo026655v

upstream raw materials:

methanol

aspartic Acid

Downstream raw materials:

β-methyl N-benzyloxycarbonyl-DL-aspartate

N-benzoylaspartic acid β-methyl ester

2-(4-fluorobenzamido)-4-methoxy-4-oxobutanoic acid

2-(3-fluorobenzamido)-4-methoxy-4-oxobutanoic acid

Refernces

• 1、 Baldwin, Jack E.,Moloney, Mark G.,North, Michael. "Asymmetric Amino Acid Synthesis: Preparation of the β Anion derived from Aspartic Acid". . p. 833 - 834. Retrieved 2007/10/02.