CID 6994129

Base Information

• Chemical Name: CID 6994129
• CAS No.: 6461-04-7
• Molecular Formula: C6H11NO4
• Molecular Weight: 161.158
• Mol file: 6461-04-7.mol

Synonyms:

Chemical Property of CID 6994129

Chemical Property:

• Vapor Pressure: 8.95E-05mmHg at 25°C
• Melting Point: 175-176℃
• Refractive Index: 1.477
• Boiling Point: 316.1 °C at 760 mmHg
• PKA: 2.18±0.10(Predicted)
• Flash Point: 145 °C
• PSA: 92.45000
• Density: 1.242 g/cm³
• LogP: -1.28290
• Storage Temp.: 2-8°C
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 161.06880783
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

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

D-Glutamic acid γ-methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC(C(=O)[O-])[NH3+]
• Isomeric SMILES: COC(=O)CC[C@H](C(=O)[O-])[NH3+]
• Uses: D-Glutamic acid 5-methyl ester is a protected form of D-Glutamic acid (G596965). D-Glutamic acid is an unnatural isomer of L-Glutamic acid (G596960), and is found in bacterial cell wall peptidoglycan of gram-positive and gram-negative bacteria. D-Glutamic acid also occurs as poly-gamma-Glutamic acid, which is a weak immunogen but is capable of acting as a hapten (a small molecule that induces the production of antibodies, as well as binding to them).

Technology Process of CID 6994129

There total 12 articles about CID 6994129 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: 71.5%

chloro-trimethyl-silane (75-77-4) + D-Glutamic acid (6893-26-1,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) → (R)-2-amino-5-methoxy-5-oxopentanoic acid (6461-04-7)

Guidance literature:

In methanol; at 20 ℃; for 0.666667h;

Reference yield: 50.0%

methanol (67-56-1) + D-Glutamic acid (6893-26-1,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) → (R)-2-amino-5-methoxy-5-oxopentanoic acid (6461-04-7)

Guidance literature:

methanol; D-Glutamic acid; With acetyl chloride; at 20 ℃; for 2h;

With pyridine; In methanol; water; at 0 ℃; for 16h;

DOI:10.1039/c4ob01476f

Reference yield:

methanol (67-56-1) + Glutamic acid (617-65-2,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) → DL-glutamic acid-5-methyl ester (1499-55-4,6461-04-7,14487-45-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/c39880000828

upstream raw materials:

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-5-methoxy-5-oxopentanoic acid

methanol

Glutamic acid

N-phthaloylglutamic acid anhydride

Downstream raw materials:

N-α-(tert-butoxycarbonyl)-D-glutamic acid γ-methyl ester

D-isoglutamine methyl ester

N-acetyl-1-O-benzyl-4,6-O-benzylidene-α-muramyl-L-valyl-D-isoglutamine methyl ester

(S)-(-)-2-<3-<4-(4-fluorophenyl)-1-piperazinyl>propyl>-6,7,8,9-tetrahydro-2H-naphtho<2,3-b><1,4>oxazin-3(4H)-one

Refernces

• 1、 Hansen, Joshua D.,Correa, Matthew,Nagy, Mark A.,Alexander, Matt,Plantevin, Veronique,Grant, Virginia,Whitefield, Brandon,Huang, Dehua,Kercher, Timothy,Harris, Roy,Narla, Rama Krishna,Leisten, Jim,Tang, Yang,Moghaddam, Mehran,Ebinger, Katalin,Piccotti, Joseph,Havens, Courtney G.,Cathers, Brian,Carmichael, James,Daniel, Thomas,Vessey, Rupert,Hamann, Lawrence G.,Leftheris, Katerina,Mendy, Derek,Baculi, Frans,Lebrun, Laurie A.,Khambatta, Gody,Lopez-Girona, Antonia. "Discovery of CRBN E3 Ligase Modulator CC-92480 for the Treatment of Relapsed and Refractory Multiple Myeloma". . p. 6648 - 6676. Retrieved 2020/09/11.
• 2、 -. "ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF". Paragraph 0309. . Retrieved 2019/01/25.