CID 11206403

Base Information

• Chemical Name: CID 11206403
• CAS No.: 32213-95-9
• Molecular Formula: C6H11NO4^.HCl
• Molecular Weight: 197.619
• Hs Code.: 29224999
• Mol file: 32213-95-9.mol

Synonyms:

Chemical Property of CID 11206403

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 0.0986mmHg at 25°C
• Melting Point: 115-117 °C
• Refractive Index: 12 ° (C=1.4, H2O)
• Boiling Point: 223 °C at 760 mmHg
• Flash Point: 88.9 °C
• PSA: 78.62000
• Density: 1.162g/cm3
• LogP: 0.55210
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Water Solubility.: Soluble in water (almost transparency) and methanol.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 197.0454856
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

99%, ^*data from raw suppliers

L-Aspartic acid dimethyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC(C(=O)OC)[NH3+].[Cl-]
• Isomeric SMILES: COC(=O)C[C@@H](C(=O)OC)[NH3+].[Cl-]
• Uses: Dimethyl L-Aspartate Hydrochloride was used in the synthesis of enzyme and pH dual responsive L-amino acid based biodegradable polymer nanocarrier that can be used for multidrug delivery to cancer cells.

Technology Process of CID 11206403

There total 15 articles about CID 11206403 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-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → dimethyl L-aspartate hydrochloride (32213-95-9)

Guidance literature:

With thionyl chloride; at 0 ℃; Reflux; Inert atmosphere;

DOI:10.1039/b912782h

Reference yield: 100.0%

L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → dimethyl L-aspartate hydrochloride (32213-95-9)

Guidance literature:

With thionyl chloride; In methanol;

Reference yield: 100.0%

chloro-trimethyl-silane (75-77-4) + L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → dimethyl L-aspartate hydrochloride (32213-95-9)

Guidance literature:

In methanol; at 20 ℃; for 16h; enantioselective reaction; Cooling with ice;

DOI:10.1016/j.bmc.2013.11.033

upstream raw materials:

methanol

aspartic Acid

(RS)-2-amino-3-methoxycarbonylpropionic acid

L-Aspartic acid

Downstream raw materials:

(S)-2-[(R)-2-(Trityl-amino)-3-tritylsulfanyl-propionylamino]-succinic acid dimethyl ester

dimethyl (S)-N-(9-phenyl-9H-fluoren-9-yl)aspartate

dimethyl N-tert-butoxycarbonyl-L-aspartate

methyl (2S,5S)-(5-methoxycarbonylmethyl-3,6-dioxopiperazin-2-yl)acetate

Refernces

• 1、 Chiaramonte, Niccolò,Angeli, Andrea,Sgambellone, Silvia,Bonardi, Alessandro,Nocentini, Alessio,Bartolucci, Gianluca,Braconi, Laura,Dei, Silvia,Lucarini, Laura,Teodori, Elisabetta,Gratteri, Paola,Wünsch, Bernhard,Supuran, Claudiu T.,Romanelli, Maria Novella. "2-(2-Hydroxyethyl)piperazine derivatives as potent human carbonic anhydrase inhibitors: Synthesis, enzyme inhibition, computational studies and antiglaucoma activity". . . Retrieved 2021/12/17.
• 2、 Cho, Soohyeon,Gu, Lina,In, Ik Joon,Kim, Hakwon,Koo, Sangho,Lee, Taehoon,Wu, Bo. "Ribose conversion with amino acids into pyrraline platform chemicals-expeditious synthesis of diverse pyrrole-fused alkaloid compounds". . p. 31511 - 31525. Retrieved 2021/11/30.