Boc-L-2-Methylphenylalanine

Base Information

• Chemical Name: Boc-L-2-Methylphenylalanine
• CAS No.: 114873-05-1
• Molecular Formula: C₁₅H₂₁NO₄
• Molecular Weight: 279.336
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80375788
• Wikidata: Q72449995
• Mol file: 114873-05-1.mol

Synonyms:114873-05-1;Boc-Phe(2-Me)-OH;Boc-L-2-Methylphenylalanine;Boc-2-methyl-L-phenylalanine;(S)-2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid;(2S)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(S)-2-(tert-butoxycarbonylamino)-3-o-tolylpropanoic acid;Boc-2-Methy-L-Phenylalanine;BOC-L-2-ME-PHE-OH;SCHEMBL873556;DTXSID80375788;PCGOCPOJLMLJAR-LBPRGKRZSA-N;BOC-2'-METHYLPHENYLALANINE;MFCD00671390;AKOS015836635;AC-9918;AM83412;CS-W000802;HY-W000802;(2S)-3-(2-methylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid;AS-14664;Boc-Phe(2-Me)-OH, >=98.0% (TLC);H10911;N-tert-Butoxycarbonyl-L-2-Methyl Phenylalanine;EN300-2010693;N-(tert-butoxycarbonyl)-2-methyl-L-phenylalanine;A803260;Boc-L-2-Methylphenylalanine (Boc-L-Phe(2-Me)-OH);J-300417;L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-;(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(2-methylphenyl)propanoic acid

Chemical Property of Boc-L-2-Methylphenylalanine

Chemical Property:

• Vapor Pressure: 1.31E-08mmHg at 25°C
• Melting Point: 113 °C
• Refractive Index: 1.526
• Boiling Point: 442.5 °C at 760 mmHg
• PKA: 3.92±0.11(Predicted)
• Flash Point: 221.4 °C
• PSA: 75.63000
• Density: 1.14 g/cm³
• LogP: 2.90630
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 279.14705815
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

98%,99%, ^*data from raw suppliers

Boc-2-methyl-L-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC(C(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC1=CC=CC=C1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C

Technology Process of Boc-L-2-Methylphenylalanine

There total 1 articles about Boc-L-2-Methylphenylalanine 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: 89.2%

di-tert-butyl dicarbonate (24424-99-5) + 2'-methyl-(2S)-α-phenylalanine (80126-53-0,1991-86-2,80126-54-1) → Nα-tert-butyloxycarbonyl-2'-methyl-L-phenylalanine (80102-29-0,139558-50-2,114873-05-1)

Guidance literature:

With triethylamine; In 1,4-dioxane; water; at 20 ℃; for 2h;

DOI:10.1021/jm061238m

Reference yield: 97.0%

(S)-2-amino-3-phenylpropionamide hydrochloride (65864-22-4) + Nα-tert-butyloxycarbonyl-2'-methyl-L-phenylalanine (80102-29-0,139558-50-2,114873-05-1) → Nα-tert-butyloxycarbonyl-2'-methyl-L-phenylalanyl-L-phenylalanylamide (943726-70-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

DOI:10.1021/jm061238m

Reference yield:

(2S)-pyrrolidine-2-carbonitrile 4-methylbenzene-1-sulfonic acid (204387-54-2) + Nα-tert-butyloxycarbonyl-2'-methyl-L-phenylalanine (80102-29-0,139558-50-2,114873-05-1) → C20H27N3O3

Guidance literature:

N^α-tert-butyloxycarbonyl-2'-methyl-L-phenylalanine; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; for 0.5h;

(2S)-pyrrolidine-2-carbonitrile 4-methylbenzene-1-sulfonic acid; With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 20h;

DOI:10.1016/j.bmc.2013.09.048

upstream raw materials:

di-tert-butyl dicarbonate

2'-methyl-(2S)-α-phenylalanine

Downstream raw materials:

N^α-tert-butyloxycarbonyl-2'-methyl-L-phenylalanyl-L-phenylalanylamide

N^α-tert-butyloxycarbonyl-L-tyrosyl-L-prolyl-2'-methyl-L-phenylalanyl-L-phenylalanylamide

N^α-tert-butyloxycarbonyl-2',6'-dimethyl-L-tyrosyl-L-prolyl-2'-methyl-L-phenylalanyl-L-phenylalanylamide

C₃₄H₄₈N₆O₇S₂

Refernces