3-(Boc-Amino)-3-phenylpropionic acid

Base Information

• Chemical Name: 3-(Boc-Amino)-3-phenylpropionic acid
• CAS No.: 14676-01-8
• Molecular Formula: C14H19NO4
• Molecular Weight: 265.309
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID90373558
• Mol file: 14676-01-8.mol

Synonyms:14676-01-8;3-(Boc-Amino)-3-phenylpropionic acid;3-N-Boc-3-Phenylpropionic acid;Boc-DL-|A-Phe-OH;3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;3-BOC-AMINO-3-PHENYL-PROPIONIC ACID;Boc-3-amino-3-phenylpropionic acid;3-((tert-Butoxycarbonyl)amino)-3-phenylpropanoic acid;3-[(tert-butoxycarbonyl)amino]-3-phenylpropanoic acid;3-(tert-butoxycarbonylamino)-3-phenylpropanoic acid;3-(boc-amino)-3-phenylPropanoic acid;Boc-(S)-3-Amino-3-phenylpropionic acid;3-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid;MFCD01320859;MFCD01860892;103365-86-2;(S)-3-(Boc-amino)-3-phenylpropanoic Acid;Boc-DL--Phe-OH;Boc-D-|A-Phe-OH;Boc-D-|A-phenylalanine;(R)-3-(BOC-AMINO)-3-PHENYLPROPANOIC ACID;boc-beta-phenyl-beta-alanine;DL-N-Boc-Beta-phenylalanine;3-tert-Butoxycarbonylamino-3-phenyl-propionic acid;SCHEMBL348500;DTXSID90373558;JTNQFJPZRTURSI-UHFFFAOYSA-N;N-Boc-beta-aminohydrocinnamic acid;Benzenepropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-;MFCD02090695;AKOS000169394;AKOS016844240;AB09021;AS-37084;SY065311;SY065312;EthylMethylKetone2,4-Dinitrophenylhydrazone;(S)-3-Phenyl-3-(Boc-amino)propionic acid;CS-0134778;FT-0613722;FT-0654921;EN300-30947;3-(Boc-amino)-3-phenylpropionic acid, AldrichCPR;3-(tert-Butoxycarbonylamino)-3-phenylpropionic acid;3-[(t-butoxycarbonyl)amino]-3-phenylpropanoic acid;3-[(tert-Butoxycarbonyl)amino]-3-phenylpropionic acid;3-Phenyl-3-[N-(tert-butoxycarbonyl)amino]propionic acid;Z285919624;ss--[[(1,1-Dimethylethoxyl)carbonyl]amino]benzenepropanoic acid

Chemical Property of 3-(Boc-Amino)-3-phenylpropionic acid

Chemical Property:

• Appearance/Colour: white powder or crystals
• Vapor Pressure: 3.7E-05mmHg at 25°C
• Melting Point: 186 °C
• Refractive Index: 1.536
• Boiling Point: 423.241 °C at 760 mmHg
• PKA: 4.32±0.10(Predicted)
• Flash Point: 209.769 °C
• PSA: 75.63000
• Density: 1.158 g/cm³
• LogP: 3.11800
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 265.13140809
• Heavy Atom Count: 19
• Complexity: 316

Purity/Quality:

98% ^*data from raw suppliers

3-(boc-Amino)-3-phenylpropionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

Technology Process of 3-(Boc-Amino)-3-phenylpropionic acid

There total 15 articles about 3-(Boc-Amino)-3-phenylpropionic acid 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%

di-tert-butyl dicarbonate (24424-99-5) + 3-Amino-3-phenylpropionic acid (3646-50-2) → 3-(tert-butoxycarbonylamino)-3-phenylpropanoic acid (14676-01-8)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; at 20 ℃; for 18h;

Reference yield: 80.0%

→ 3-(tert-butoxycarbonylamino)-3-phenylpropanoic acid (14676-01-8)

Guidance literature:

Reference yield: 75.0%

4-phenylazetidin-2-one (5661-55-2) + di-tert-butyl dicarbonate (24424-99-5) → 3-(tert-butoxycarbonylamino)-3-phenylpropanoic acid (14676-01-8)

Guidance literature:

4-phenylazetidin-2-one; di-tert-butyl dicarbonate; With dmap; In tetrahydrofuran; at 20 ℃; for 2h;

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 ℃; for 2h;

DOI:10.1021/acscatal.9b04768

upstream raw materials:

tert-Butyl 4-nitrophenyl carbonate

3-Amino-3-phenylpropionic acid

3-tert-butoxycarbonylamino-3-phenylpropionic acid methyl ester

tert-butyl (-formyl-1-phenylethyl)carbamate

Downstream raw materials:

1-(3-(N-(tert-butoxycarbonyl)amino)-3-phenylpropanoyl)-4-((2-methyl-3-pyridyl)cyanomethyl)piperazine

tert-butyl N-(3-amino-3-oxo-1-phenyl-propyl)carbamate

Refernces

• 1、 -. "PRMT5 INHIBITORS AND USES THEREOF". Paragraph 00511. . Retrieved 2016/01/12.
• 2、 -. "WNT PATHWAY ANTAGONISTS". Page/Page column 53-54. . Retrieved 2011/04/26.