2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate

Base Information

Chemical Name:2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate
CAS No.:114873-01-7
Molecular Formula:C14H18FNO4
Molecular Weight:283.3
Hs Code.:2924299090
DSSTox Substance ID:DTXSID20921521
Wikidata:Q72449276
Mol file:114873-01-7.mol

Synonyms:DTXSID20921521;A803256;2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate;(2S)-2-(tert-butoxycarbonylamino)-3-(3-fluorophenyl)propanoate;Boc-Phe(3-F)-OH

Suppliers and Price of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Boc-3-fluoro-L-phenylalanine
2g
$ 353.00

Usbiological
Boc-3-fluoro-L-phenylalanine 99+%
1g
$ 170.00

TRC
3-Fluorophenyl-2-tert-butyloxycarbonylaminopropionicAcid
2.5g
$ 130.00

TCI Chemical
N-(tert-Butoxycarbonyl)-3-fluoro-L-phenylalanine >98.0%(HPLC)(T)
5g
$ 177.00

TCI Chemical
N-(tert-Butoxycarbonyl)-3-fluoro-L-phenylalanine >98.0%(HPLC)(T)
1g
$ 59.00

SynQuest Laboratories
3-Fluoro-L-phenylalanine, N-Boc protected
1 g
$ 20.00

Sigma-Aldrich
Boc-Phe(3-F)-OH ≥98.0% (TLC)
5g
$ 231.00

Matrix Scientific
Boc-3-fluoro-L-phenylalanine
1g
$ 122.00

Matrix Scientific
Boc-3-fluoro-L-phenylalanine
5g
$ 459.00

Labseeker
(S)-2-TERT-BUTOXYCARBONYLAMINO-3-(3-FLUORO-PHENYL)-PROPIONICACID 98
5g
$ 450.00

Total 78 raw suppliers

Chemical Property of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate

Chemical Property:

Appearance/Colour:off-white crystalline powder
Vapor Pressure:5.57E-08mmHg at 25°C
Melting Point:75-80 °C
Refractive Index:1.517
Boiling Point:425 °C at 760 mmHg
PKA:3.82±0.10(Predicted)
Flash Point:210.8 °C
PSA：75.63000
Density:1.216 g/cm³
LogP:2.73700
Storage Temp.:Keep Cold
Solubility.:slightly sol. in Ethanol
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:282.11416119
Heavy Atom Count:20
Complexity:348

Purity/Quality:

99%, ^*data from raw suppliers

Boc-3-fluoro-L-phenylalanine ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate

There total 8 articles about 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate 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%

: 24424-99-5
di-tert-butyl dicarbonate

: 19883-77-3,2629-54-1
L-3-fluorophenylalanine

: 114873-01-7,114873-11-9
N-Boc-3-fluoro-L-phenylalanine

Guidance literature:: di-tert-butyl dicarbonate; L-3-fluorophenylalanine; With sodium carbonate; In 1,4-dioxane; water; at 0 - 20 ℃; for 5h;

With citric acid; In water;

Reference yield: 85.0%

: 19883-77-3,2629-54-1
L-3-fluorophenylalanine

: tert-butyl (2,4-dioxo-3-azaspiro[5,5]undecan-3-yl) carbonate

: 114873-01-7,114873-11-9
N-Boc-3-fluoro-L-phenylalanine

Guidance literature:: With sodium carbonate; In water; acetonitrile; at 25 ℃; for 12h;
DOI:10.1080/00397911.2017.1366525

Reference yield: 74.0%

: 24424-99-5
di-tert-butyl dicarbonate

: methyl (S)-2-acetamido-3-(3-fluorophenyl)-propanoate

: 114873-01-7,114873-11-9
N-Boc-3-fluoro-L-phenylalanine

Guidance literature:: di-tert-butyl dicarbonate; methyl (S)-2-acetamido-3-(3-fluorophenyl)-propanoate; With dmap; In tetrahydrofuran; at 80 ℃; for 4h; Microwave irradiation; Inert atmosphere;

With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃;
DOI:10.1021/acs.jmedchem.9b01104