[(2S)-1-methoxy-1-oxopropan-2-yl]azanium;chloride

Base Information

• Chemical Name: [(2S)-1-methoxy-1-oxopropan-2-yl]azanium;chloride
• CAS No.: 2491-20-5
• Molecular Formula: C4H9NO2^.HCl
• Molecular Weight: 139.582
• Hs Code.: 29224999
• Mol file: 2491-20-5.mol

Synonyms:SCHEMBL19182851

Chemical Property of [(2S)-1-methoxy-1-oxopropan-2-yl]azanium;chloride

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 35mmHg at 25°C
• Melting Point: 109-111 °C(lit.)
• Refractive Index: 6.5 ° (C=2, MeOH)
• Boiling Point: 101.5 °C at 760 mmHg
• PSA: 52.32000
• LogP: 1.00890
• Storage Temp.: −20°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Methanol (Slightly, Sonicated)
• Water Solubility.: Soluble in Water (100 mg/ml).
• Hydrogen Bond Donor Count: 1
• 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

L-Alanine methyl ester HCI ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC)[NH3+].[Cl-]
• Isomeric SMILES: C[C@@H](C(=O)OC)[NH3+].[Cl-]
• Uses: L-Alanine methyl ester hydrochloride is used to make in-vivo measurement of glucose and alanine metabolism in studies of patients with diabetes.

Technology Process of [(2S)-1-methoxy-1-oxopropan-2-yl]azanium;chloride

There total 20 articles about [(2S)-1-methoxy-1-oxopropan-2-yl]azanium;chloride 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%

methanol (67-56-1) + L-alanin (56-41-7,25191-17-7,18875-37-1) → L-alanine methyl ester hydrochloride (2491-20-5)

Guidance literature:

methanol; With thionyl chloride; at -15 - 0 ℃;

L-alanin; for 3h; Reflux;

DOI:10.1016/j.phytol.2018.05.019

Reference yield: 100.0%

(S)-N-(tert-butoxycarbonyl)alanine methyl ester (28875-17-4) → L-alanine methyl ester hydrochloride (2491-20-5)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 0 ℃; for 2h;

DOI:10.1246/bcsj.67.2478

Reference yield: 96.0%

methanol (67-56-1) + L-alanine hydrochloride (6003-05-0,16428-74-3,25616-13-1,26570-06-9) → L-alanine methyl ester hydrochloride (2491-20-5)

Guidance literature:

With thionyl chloride; at 0 ℃;

DOI:10.1177/1747519819890559

upstream raw materials:

methanol

L-alanin

methyl N-p-dimethylaminobenzylidenealaninate

Sulfuric acid (3aR,5R,6S,6aR)-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester methyl ester

Downstream raw materials:

N-benzyloxycarbonyl-glycyl=>D-phenylalanyl=>L-alanine

methyl N-(3-(((benzyloxy)carbonyl)amino)propanoyl)-L-alaninate

Boc-Lys(Z)-Ala-OMe

Z-D-Leu-L-Ala-OCH₃

Refernces

• 1、 Sharma, Gangavaram V. M.,Babu, Bommagani Shoban,Ramakrishna, Kallaganti V. S.,Nagendar, Pendem,Kunwar, Ajit C.,Schramm, Peter,Baldauf, Carsten,Hofmann, Hans-Joerg. "Synthesis and structure of α/δ-hybrid peptides - Access to novel helix patterns in foldamers". . p. 5552 - 5566. Retrieved 2009.
• 2、 Duhamel, Pierre,Jamal Eddine, Jamal,Valnot, Jean-Yves. "ENANTIOSELECTIVE ALKYLATION OF ENOLATE DERIVED FROM GLYCINE INFLUENCE OF THE IMINE MOIETY". . p. 2355 - 2358. Retrieved 1984.
• 3、 Dey, Sougata,Schepmann, Dirk,Wünsch, Bernhard. "2-Methyltetrahydro-3-benzazepin-1-ols – The missing link in SAR of GluN2B selective NMDA receptor antagonists". . p. 501 - 508. Retrieved 2018.
• 4、 Reddy, Karnekanti Rajender,Sridhar, Gattu,Sharma, Gangavaram V. M.. "Synthesis of β 3-amino acid and peptides from D-ribose". . p. 1487 - 1493. Retrieved 2018.
• 5、 Tao, Guo-Hong,He, Ling,Sun, Ning,Kou, Yuan. "New generation ionic liquids: Cations derived from amino acids". . p. 3562 - 3564. Retrieved 2005.
• 6、 Wulkesch, Christian,Czekelius, Constantin. "Straightforward Synthesis of Fluorinated Enals via Photocatalytic α-Perfluoroalkenylation of Aldehydes". . p. 7425 - 7438. Retrieved 2021/06/21.
• 7、 Shimbo, Daisuke,Maruyama, Toshifumi,Tada, Norihiro,Itoh, Akichika. "N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesizecis-enamides through vinyl benziodoxolones". supporting information. p. 2442 - 2447. Retrieved 2021/04/02.