DL-Leucine-1-13C

Base Information

• Chemical Name: DL-Leucine-1-13C
• CAS No.: 82152-65-6
• Molecular Formula: C₆H₁₃NO₂
• Molecular Weight: 134.164
• DSSTox Substance ID: DTXSID60436381
• Mol file: 82152-65-6.mol

Synonyms:DL-Leucine-1-13C;82152-65-6;2-amino-4-methyl(113C)pentanoic acid;( inverted exclamation markA)-Leucine-13C-1;starbld0016598;DTXSID60436381;HY-B1674S2;DL-Leucine-1-13C, 99 atom % 13C;CS-0379554

Chemical Property of DL-Leucine-1-13C

Chemical Property:

• Melting Point: 293-296oC (subl.)(lit.)
• PSA: 63.32000
• LogP: 1.14470
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.097983493
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

DL-Leucine-1-13C ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)O)N
• Isomeric SMILES: CC(C)CC([13C](=O)O)N

Technology Process of DL-Leucine-1-13C

There total 12 articles about DL-Leucine-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: 100.0%

L-leucine-1-13C,15N (80134-83-4,287484-39-3,82152-60-1,82152-65-6) → L-leucine-1-13C,15N,18O (287484-39-3,82152-60-1,82152-65-6)

Guidance literature:

With hydrogenchloride; ¹⁸O-water; at 65 ℃; for 4h; pH=1;

DOI:10.1007/s13361-014-1012-y

Reference yield: 73.0%

C9(12)C(13)C5H22(2)H6I(15)NO4 → (2S,3R,4R)-[1,2,3,4,5-13C5;2-15N2;3,5,5,5',5',5'-2H6]leucine (287484-39-3,82152-60-1,87994-88-5,82152-65-6)

Guidance literature:

C₉⁽¹²⁾C⁽¹³⁾C₅H₂₂⁽²⁾H₆I⁽¹⁵⁾NO₄; With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 1h;

With hydrogenchloride; In water; at 130 ℃; for 1h;

Reference yield:

C5(13)CH13(15)NO2 (82152-60-1,287484-39-3,82152-65-6) → C5(13)CH13(15)N(18)O2 (73579-45-0,82152-60-1,287484-39-3,82152-65-6)

Guidance literature:

With hydrogenchloride; ¹⁸O-labeled water; at 20 - 80 ℃; for 12h;

upstream raw materials:

(1-¹³C)-L-leucine

L-leucine-1-¹³C,¹⁵N

C₅⁽¹³⁾CH₁₃⁽¹⁵⁾NO₂

Downstream raw materials:

N-Cbz-1-13C-L-leucine

Refernces

• 1、 Greer, Tyler,Lietz, Christopher B.,Xiang, Feng,Li, Lingjun. "Novel isotopic N,N-Dimethyl Leucine (iDiLeu) reagents enable absolute quantification of peptides and proteins using a standard curve approach". . p. 107 - 119. Retrieved 2015/02/19.
• 2、 Maekawa, Hiroaki,Poli, Matteo De,Toniolo, Claudio,Ge, Nien-Hui. "Couplings between peptide linkages across a 310-helical hydrogen bond revealed by two-dimensional infrared spectroscopy". supporting information; experimental part. p. 2042 - 2043. Retrieved 2009/07/30.