Fmoc-Val-OH-1-13C

Base Information

• Chemical Name: Fmoc-Val-OH-1-13C
• CAS No.: 286460-74-0
• Molecular Formula: C20H21 N O4
• Molecular Weight: 340.38
• DSSTox Substance ID: DTXSID00583868
• Wikidata: Q82475476
• Mol file: 286460-74-0.mol

Synonyms:Fmoc-Val-OH-1-13C;286460-74-0;Fmoc-L-Val-OH-1-13C;(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-methyl(113C)butanoic acid;N-(9-Fluorenylmethoxycarbonyl)-L-valine-1-13C;DTXSID00583868;HY-I1111S1;CS-0376099;Fmoc-Val-OH-1-13C, 99 atom % 13C, 98% (CP);N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-L-(1-~13~C)valine

Chemical Property of Fmoc-Val-OH-1-13C

Chemical Property:

• Melting Point: 143-145 °C(lit.)
• PSA: 79.12000
• LogP: 3.83870
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 340.15041299
• Heavy Atom Count: 25
• Complexity: 470

Purity/Quality:

97% ^*data from raw suppliers

FMOC-VAL-OH (1-13C) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• Isomeric SMILES: CC(C)[C@@H]([13C](=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Technology Process of Fmoc-Val-OH-1-13C

There total 1 articles about Fmoc-Val-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: 89.0%

L-valine-1-13C (152840-81-8,81201-85-6) + (fluorenylmethoxy)carbonyl chloride (28920-43-6) → N-((9-fluorenylmethoxy)carbonyl)-[1-13C]-L-valine (286460-74-0)

Guidance literature:

With sodium carbonate; In 1,4-dioxane; water; at 20 ℃; for 6h;

DOI:10.1021/ol701913p

Reference yield:

N-((9-fluorenylmethoxy)carbonyl)-[1-13C]-L-isoleucine (960525-49-9) + N-((9-fluorenylmethoxy)carbonyl)-[1-13C]-L-valine (286460-74-0) + N-(fluoren-9-ylmethoxycarbonyl)glycine (29022-11-5) + N-[(9H-fluoren-9-ylmethoxy)carbonyl]-α-aminoisobutyric acid (94744-50-0) → Arg-Tyr-(1-13C-labeled-Val)-Glu-Val-Aib-Gly-Orn-Lys-(1-13C-labeled-Ile)-Leu-Gln

Guidance literature:

Multistep reaction.;

DOI:10.1021/ja0736414

Reference yield:

N-((9-fluorenylmethoxy)carbonyl)-[1-13C]-L-valine (286460-74-0) → C4(13)CH11NO(18)O (81201-85-6)

Guidance literature:

With 3,5-dimethylpyridine hydrogen bromide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; ¹⁸O-labeled water; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.0c04357

upstream raw materials:

L-valine-1-13C

(fluorenylmethoxy)carbonyl chloride

Downstream raw materials:

C₆₄⁽¹³⁾CH₁₁₃N₁₉O₁₆

C₄⁽¹³⁾CH₁₁NO⁽¹⁸⁾O

Refernces