Methyl 2-aminopropanoate hydrochloride

Base Information

• Chemical Name: Methyl 2-aminopropanoate hydrochloride
• CAS No.: 14316-06-4
• Molecular Formula: C4H9NO2^.HCl
• Molecular Weight: 139.582
• Hs Code.: 29224999
• European Community (EC) Number: 236-854-8
• NSC Number: 523192,29729
• DSSTox Substance ID: DTXSID80928899
• Mol file: 14316-06-4.mol

Synonyms:13515-97-4;methyl 2-aminopropanoate hydrochloride;H-DL-Ala-OMe.HCl;DL-Alanine methyl ester hydrochloride;Methyl DL-alaninate hydrochloride;DL-Alanine methyl ester, HCl;Methyl DL-alaninate HCl;MFCD00035523;methyl 2-aminopropanoate;hydrochloride;h-dl-ala-ome hydrochloride;Methyl 2-aminopropanoate HCl;EINECS 236-854-8;DL-Alanine, methyl ester, hydrochloride;AI3-28808;(1-Methoxy-1-oxopropan-2-yl)azanium;chloride;2-aminopropanoic acid methyl ester hydrochloride;EINECS 219-652-4;MFCD00066141;AI3-28809;EC 219-652-4;H-DL-Ala-OMe . HCl;SCHEMBL248769;SCHEMBL709460;DTXSID80928899;IYUKFAFDFHZKPI-UHFFFAOYSA-N;methyl d,l-alaninate hydrochloride;BCP26182;NSC29729;l-alanine methyl ester hydrochlo-ride;NSC 29729;NSC-29729;NSC523192;methyl 2-aminopropionate-hydrochloride;AKOS008030245;D,L-alanine methyl ester hydrochloride;methyl 2-azanylpropanoate hydrochloride;AB02553;CS-W011040;HY-W010324;NSC-523192;(DL)-alanine methyl ester hydrochloride;methyl 2-aminopropanate monohydrochloride;AS-12763;methyl 2-aminopropanoate monohydrochloride;Methyl DL-2-aminopropanoate hydrochloride;SY008132;SY008138;AM20080254;FT-0622109;FT-0624402;FT-0627658;Methyl alaninatato--hydrogen chlorido (1/1);EN300-08267;A806894;A817543;dl-2-aminopropionic acid methyl ester hydrochloride;W-108273;F0304-0049;H-Ala-OMe.HCl;(S)-Methyl 2-aminopropanoate hydrochloride

Chemical Property of Methyl 2-aminopropanoate hydrochloride

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 35mmHg at 25°C
• Melting Point: 108-110 °C(lit.)
• Boiling Point: 101.5 °C at 760 mmHg
• PSA: 40.54000
• Density: 1.01 g/cm³
• LogP: 0.43460
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Sparingly), Methanol (Sparingly), Water (Slightly)
• Water Solubility.: Soluble in Water 100 mg/ml.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 139.0400063
• Heavy Atom Count: 8
• Complexity: 72.1

Purity/Quality:

99% ^*data from raw suppliers

D-Alanine methyl ester hydrochloride 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)OC)N.Cl
• Uses: D-Alanine methyl ester hydrochloride is used as building block for the preparation of peptides.

Technology Process of Methyl 2-aminopropanoate hydrochloride

There total 8 articles about Methyl 2-aminopropanoate 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%

methanol (67-56-1) + D-Alanine (338-69-2,25191-17-7,18875-37-1) → D-alanine methyl ester hydrochloride (14316-06-4)

Guidance literature:

With thionyl chloride; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2017.07.027

Reference yield:

methyl 2-aminopropanoate monohydrochloride (13515-97-4) → L-alanine methyl ester hydrochloride (2491-20-5) + D-alanine methyl ester hydrochloride (14316-06-4)

Guidance literature:

With chiral stationary phase including isopropyl-functionalized CF₆; In methanol; acetic acid; triethylamine; acetonitrile; at 20 ℃; Purification / work up;

Reference yield:

methyl N-p-dimethylaminobenzylidenealaninate (912290-10-9) → L-alanine methyl ester hydrochloride (2491-20-5) + D-alanine methyl ester hydrochloride (14316-06-4)

Guidance literature:

With (-)-O,O′-di-pivaloyl-L-tartaric acid; lithium diisopropyl amide; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(01)86055-5

upstream raw materials:

methanol

D-Alanine

methyl N-p-dimethylaminobenzylidenealaninate

methyl iodide

Downstream raw materials:

Methyl (R)-N-acetylalaninate

Z-L-Ala-D-Ala-OMe

Boc-L-Asp(OBzl)-D-Ala-O-Me

Carbobenzoxy-D-Phe-D-Ala

Refernces

• 1、 Pihko, Petri M.,Koskinen, Ari M. P.. "Synthesis of the C26-C32 Oxazole Fragment of Calyculin C: A Test Case for Oxazole Syntheses". . p. 92 - 98. Retrieved 1998.
• 2、 Yen, Andy,Pham, Anh Hoang,Larin, Egor M.,Lautens, Mark. "Rhodium-Catalyzed Enantioselective Synthesis of Oxazinones via an Asymmetric Ring Opening-Lactonization Cascade of Oxabicyclic Alkenes". supporting information. p. 7549 - 7553. Retrieved 2019/10/02.
• 3、 -. "Synthesis method for nitro group-containing natural product chrysamides B and diastereoisomer-compound thereof". Paragraph 0024; 0025. . Retrieved 2018/11/22.