Boc-met-leu-ome

Base Information

• Chemical Name: Boc-met-leu-ome
• CAS No.: 66880-59-9
• Molecular Formula: C17H32N2O5S
• Molecular Weight: 376.51100
• DSSTox Substance ID: DTXSID001161605
• Nikkaji Number: J2.112.502D
• Mol file: 66880-59-9.mol

Synonyms:BOC-MET-LEU-OME;66880-59-9;BOC-L-Met-L-Leu-OMe;YDAPZLXQYTXIPR-STQMWFEESA-N;DTXSID001161605;N-[(1,1-Dimethylethoxy)carbonyl]-L-methionyl-L-leucine methyl ester;(S)-methyl 2-((S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butanamido)-4-methylpentanoate

Chemical Property of Boc-met-leu-ome

Chemical Property:

• Melting Point: 107-109 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Boiling Point: 524.7±50.0 °C(Predicted)
• PKA: 11.10±0.46(Predicted)
• PSA: 119.03000
• Density: 1.088±0.06 g/cm3(Predicted)
• LogP: 3.11850
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 376.20319330
• Heavy Atom Count: 25
• Complexity: 449

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Boc-met-leu-ome

There total 7 articles about Boc-met-leu-ome 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%

methanol (67-56-1) + Boc-Met-Leu-NH2 → (2S)-methyl2-(2-(tert-butoxycarbonylamino)-4-(methylthio)butanamido)-4-methylpentanoate (66880-59-9)

Guidance literature:

With alcalase cross-linked enzyme aggregates; at 50 ℃; for 48h; Molecular sieve; Enzymatic reaction;

DOI:10.1002/adsc.201000943

Reference yield: 92.0%

N-tert-butoxycarbonyl-L-methionine (2488-15-5) + methyl (L)-leucinate hydrochloride (7517-19-3) → (2S)-methyl2-(2-(tert-butoxycarbonylamino)-4-(methylthio)butanamido)-4-methylpentanoate (66880-59-9)

Guidance literature:

N-tert-butoxycarbonyl-L-methionine; With 4-methyl-morpholine; isobutyl chloroformate; In tetrahydrofuran; at -5 ℃; for 0.5h;

methyl (L)-leucinate hydrochloride; In tetrahydrofuran; at -5 - 20 ℃; for 6h;

DOI:10.3390/molecules201219772

Reference yield: 40.0%

L-Leucine methyl ester (2666-93-5,18869-43-7,23032-21-5,73136-00-2) + N-t-butoxycarbonyl-L-methionine (2488-15-5,5241-66-7,91602-35-6,93000-03-4) → (2S)-methyl2-(2-(tert-butoxycarbonylamino)-4-(methylthio)butanamido)-4-methylpentanoate (66880-59-9)

Guidance literature:

With triethylamine; dicyclohexyl-carbodiimide; In dichloromethane; 1) -5 deg C, 3 h 2) refrigerator, 48 h 3) room temperature, 4 h;

upstream raw materials:

N-tert-butoxycarbonyl-L-methionine

methyl (L)-leucinate hydrochloride

L-Leucine methyl ester

N-t-butoxycarbonyl-L-methionine

Downstream raw materials:

Boc-Met-Leu-Phe-NHCH₂Ph

N-((S)-1-{(S)-1-[1-(4-Hydroxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonyl]-3-methyl-butylcarbamoyl}-3-methylsulfanyl-propyl)-nicotinamide

Boc-Met-Leu-Phe-NH₂

C₂₆H₄₀N₄O₈S