CID 7010562

Base Information

• Chemical Name: CID 7010562
• CAS No.: 45120-30-7
• Molecular Formula: C9H17NO4
• Molecular Weight: 203.238
• Hs Code.: 2922509090
• Mol file: 45120-30-7.mol

Synonyms:

Chemical Property of CID 7010562

Chemical Property:

• Melting Point: 140 °C
• Refractive Index: 14 ° (C=1, H2O)
• Boiling Point: 326.8 °C at 760 mmHg
• PKA: 4.22±0.10(Predicted)
• Flash Point: 151.5 °C
• PSA: 89.62000
• Density: 1.133 g/cm³
• LogP: 1.22050
• Storage Temp.: Store at 0°C
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Sparingly, Sonicated)
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 203.11575802
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

L-Glutamic Acid α-tert-Butyl Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C(CCC(=O)[O-])[NH3+]
• Isomeric SMILES: CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])[NH3+]
• Uses: L-Glutamic Acid α-tert-Butyl Ester is an ester of L-Glutamic Acid used in the synthesis of enantiopure isotopomers of amino acids.

Technology Process of CID 7010562

There total 4 articles about CID 7010562 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:

di-tert-butyl L-glutamate (16874-06-9) → L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) + L-glutamic acid 5-tert-butyl ester (2419-56-9) + L-glutamic acid α-tert-butyl ester (45120-30-7)

Guidance literature:

With hydrogenchloride; water; sodium acetate; for 20 - 24h; pH=4.7 - 5.0; Conversion of starting material;

Reference yield:

L-glutamic acid di-tert-butyl ester hydrochloride (32677-01-3) → L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) + L-glutamic acid 5-tert-butyl ester (2419-56-9) + L-glutamic acid α-tert-butyl ester (45120-30-7)

Guidance literature:

With water; sodium acetate; at 50 ℃; for 25h; pH=4.9; Conversion of starting material;

Reference yield:

Glutamic acid (617-65-2,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) → t-butoxycarbonyl-γ-aminobutyric acid (25456-75-1,25456-76-2,45120-30-7)

Guidance literature:

With perchloric acid; In acetic acid tert-butyl ester;

upstream raw materials:

Glutamic acid

L-glutamic acid di-tert-butyl ester hydrochloride

di-tert-butyl L-glutamate

Downstream raw materials:

Fmoc-Glu-OtBu

L-glutamic acid, N-(1-oxohexadecyl)-, 1-(1,1-dimethylethyl) ester

17-(4-(S)-1-tert-butoxycarbonyl-3-{2-[2-({2-[2-(2,5-dioxopyrrolidin-1-yloxycarbonylmethoxy)ethoxy]ethylcarbamoyl}methoxy)ethoxy]ethylcarbamoyl}propylcarbamoyl)heptadecanoic acid tert-butyl ester

(2S)-N₂-(9-fluorenylmethyloxycarbonyl)-glutamic acid α-tert-butyl ester γ-N-hydroxysuccinimide ester

Refernces

• 1、 -. "Route of synthesis for tertiary alkyl esters". . . Retrieved 2008/06/13.