Boc-Ala-OH-1-13C

Base Information

• Chemical Name: Boc-Ala-OH-1-13C
• CAS No.: 201740-78-5
• Molecular Formula: C8H15 N O4
• Molecular Weight: 190.22
• DSSTox Substance ID: DTXSID20583880
• Wikidata: Q82475489
• Mol file: 201740-78-5.mol

Synonyms:Boc-Ala-OH-1-13C;201740-78-5;N-(tert-Butoxycarbonyl)-L-alanine-1-13C;(2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino](113C)propanoic acid;DTXSID20583880;HY-41121S;MS-23026;Boc-Ala-OH-1-13C, 99 atom % 13C;CS-0226314;G12316;N-(tert-Butoxycarbonyl)-L-(1-~13~C)alanine;N-(tert-Butoxycarbonyl)-L-alanine-1-13c,99 atom % 13c

Chemical Property of Boc-Ala-OH-1-13C

Chemical Property:

• Melting Point: 79-83 °C(lit.)
• PSA: 79.12000
• LogP: 1.18860
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 190.10346280
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

L-Alanine-13C-N-T-Boc ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: C[C@@H]([13C](=O)O)NC(=O)OC(C)(C)C

Technology Process of Boc-Ala-OH-1-13C

There total 4 articles about Boc-Ala-OH-1-13C 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: 97.0%

di-tert-butyl dicarbonate (24424-99-5) + <1-13C>-L-alanine (21764-56-7) → [1-13C]N-Boc-L-alanine (201740-78-5)

Guidance literature:

di-tert-butyl dicarbonate; <1-13C>-L-alanine; With sodium hydrogencarbonate; sodium hydroxide; In 1,4-dioxane; at 20 ℃; for 28h;

With dmap; In 1,4-dioxane; water; at 50 ℃; for 1h;

DOI:10.1002/anie.201509457

Reference yield:

C12(13)CH19N3O6 → [1-13C]N-Boc-L-alanine (201740-78-5)

Guidance literature:

With water; In N,N-dimethylformamide-D₇; Temperature; Kinetics;

DOI:10.1002/chem.201200711

Reference yield:

C12(13)CH17N5O4 → [1-13C]N-Boc-L-alanine (201740-78-5)

Guidance literature:

With water; In N,N-dimethylformamide-D₇; Temperature; Kinetics;

DOI:10.1002/chem.201200711

upstream raw materials:

di-tert-butyl dicarbonate

<1-13C>-L-alanine

Refernces

• 1、 Pernille Tofteng,Pedersen, S?ren L.,Staerk, Dan,Jensen, Knud J.. "Effect of residual water and microwave heating on the half-life of the reagents and reactive intermediates in peptide synthesis". . p. 9024 - 9031. Retrieved 2012.