Boc-Phe-Ala-OMe

Base Information

• Chemical Name: Boc-Phe-Ala-OMe
• CAS No.: 15136-29-5
• Molecular Formula: C18H26N2O5
• Molecular Weight: 350.415
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID601155323
• Nikkaji Number: J402.298J
• Mol file: 15136-29-5.mol

Synonyms:Boc-Phe-Ala-OMe;15136-29-5;methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoate;L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-, methyl ester;DTXSID601155323;AKOS015910319;L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-,methyl ester;N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-alanine methyl ester;(S)-methyl 2-((S)-2-(tert-butoxycarbonylamino)-3-phenylpropanamido)propanoate

Chemical Property of Boc-Phe-Ala-OMe

Chemical Property:

• Vapor Pressure: 3.72E-11mmHg at 25°C
• Melting Point: 103-104 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4))
• Refractive Index: 1.51
• Boiling Point: 526 °C at 760 mmHg
• PKA: 11.29±0.46(Predicted)
• Flash Point: 271.9 °C
• PSA: 93.73000
• Density: 1.13 g/cm³
• LogP: 2.58190
• Storage Temp.: Store at 0°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 350.18417193
• Heavy Atom Count: 25
• Complexity: 467

Purity/Quality:

98%min ^*data from raw suppliers

BOC-PHE-ALA-OME 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C
• Isomeric SMILES: C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Technology Process of Boc-Phe-Ala-OMe

There total 28 articles about Boc-Phe-Ala-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: 95.0%

N-tert-butoxycarbonyl-L-phenylalanine (13734-34-4) + L-alanine methyl ester hydrochloride (2491-20-5) → (S)-methyl 2-((S)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)propanoate (15136-29-5)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.ejmech.2008.01.032

Reference yield: 95.0%

(S)-2-tert-Butoxycarbonylamino-3-phenyl-thiopropionic acid S-pentafluorophenyl ester + Trifluoro-acetic acid; compound with (S)-2-amino-propionic acid methyl ester → (S)-methyl 2-((S)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)propanoate (15136-29-5)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 0 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(00)76989-9

Reference yield: 95.0%

methyl 2-(((9H-fluoren-9-yl)methoxy)carbonyl)aminopropanoate (146346-88-5) + Boc-Phe-ONSu (3674-06-4) → (S)-methyl 2-((S)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)propanoate (15136-29-5)

Guidance literature:

With potassium fluoride; triethylamine; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1055/s-2000-6222

upstream raw materials:

diazomethane

N-tert-butyloxycarbonyl-L-phenylalanyl-L-alanine

N-tert-butoxycarbonyl-L-phenylalanine

L-alanine methyl ester hydrochloride

Downstream raw materials:

Boc-Phe-Ala-OEt

Boc-Phe-Ala-OCHMe₂

Boc-Phe-Ala-OCMe₃

(S)-methyl 2-((S)-2-((((4-ethynylbenzyl)oxy)carbonyl)amino)-3-phenylpropanamido)propanoate

Refernces

• 1、 Panja, Santanu,Dietrich, Bart,Adams, Dave J.. "Controlling Syneresis of Hydrogels Using Organic Salts". . . Retrieved 2021/12/10.
• 2、 Qin, Minggao,Zhang, Yaqian,Xing, Chao,Yang, Li,Zhao, Changli,Dou, Xiaoqiu,Feng, Chuanliang. "Effect of Stereochemistry on Chirality and Gelation Properties of Supramolecular Self-Assemblies". . p. 3119 - 3129. Retrieved 2021/01/20.