Boc-Gly-OH-15N

Base Information

• Chemical Name: Boc-Gly-OH-15N
• CAS No.: 106665-75-2
• Molecular Formula: C7H13 N O4
• Molecular Weight: 176.19
• European Community (EC) Number: 693-247-4
• DSSTox Substance ID: DTXSID50468858
• Wikidata: Q82296310
• Mol file: 106665-75-2.mol

Synonyms:Boc-Gly-OH-15N;106665-75-2;BOC-[15N]GLY-OH;Boc-Glycine-15N;Glycine-N-t-Boc-15N;2-[(2-Methylpropan-2-yl)oxycarbonyl(15N)amino]acetic acid;N-(tert-Butoxycarbonyl)glycine-15N;starbld0016554;HY-Y0978S;DTXSID50468858;MFCD00084217;MS-22939;CS-0226201;Boc-Gly-OH-15N, 98 atom % 15N, 99% (CP)

Chemical Property of Boc-Gly-OH-15N

Chemical Property:

• Melting Point: 86-89 °C(lit.)
• PSA: 75.63000
• LogP: 0.98660
• Storage Temp.: -15°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 176.08149279
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

98.5% ^*data from raw suppliers

Glycine-n-t-boc(15N,98%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)[15NH]CC(=O)O

Technology Process of Boc-Gly-OH-15N

There total 1 articles about Boc-Gly-OH-15N 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: 95.0%

glycine-15N (7299-33-4) + di-tert-butyl dicarbonate (24424-99-5) → Boc-<15N>Gly (106665-75-2)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 20 ℃; for 24h;

DOI:10.1021/jo052388s

Reference yield: 76.0%

Boc-<15N>Gly (106665-75-2) + benzyl bromide (100-39-0) → Boc-[15N]Gly-OBzl

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 65h;

DOI:10.1021/jo052388s

Reference yield:

L-Leucine benzyl ester (1738-69-8) + Boc-<15N>Gly (106665-75-2) → Boc-Gly(15N)-Leu-OBzl (124125-92-4)

Guidance literature:

With benzotriazol-1-ol; dicyclohexyl-carbodiimide;

upstream raw materials:

glycine-15N

di-tert-butyl dicarbonate

Downstream raw materials:

Boc-Gly(15N)-Leu-OBzl

Refernces