(S)-3-Amino-3-(4-fluoro-phenyl)-propionic acid

Base Information

Chemical Name:(S)-3-Amino-3-(4-fluoro-phenyl)-propionic acid
CAS No.:151911-33-0
Molecular Formula:C9H10FNO2
Molecular Weight:183.182
Hs Code.:2922498590
European Community (EC) Number:676-137-0
DSSTox Substance ID:DTXSID60352557
Nikkaji Number:J1.302.441C
Mol file:151911-33-0.mol

Synonyms:151911-33-0;(s)-3-amino-3-(4-fluorophenyl)propionic acid;(S)-3-Amino-3-(4-fluoro-phenyl)-propionic acid;(3S)-3-amino-3-(4-fluorophenyl)propanoic acid;(S)-3-Amino-3-(4-fluorophenyl)propanoic acid;(S)-beta-(p-Fluorophenyl)alanine;(s)-3-(p-fluorophenyl)-beta-alanine;(s)-3-amino-3-(4-fluoro-phenyl)propionic acid;(s)-beta-4-fluorophenylalanine;h-beta-phe(4-f)-oh;h-d-phg(4-f)-(c*ch2)oh;(s)-4-fluoro-beta-phenylalanine;(s)-b-(p-fluorophenyl)-b-alanine;S-3-Amino-3-(4-fluoro-phenyl)-propionic acid;SCHEMBL3338961;DTXSID60352557;CPGFMWPQXUXQRX-QMMMGPOBSA-N;H-D-Phg(4-F)-(C#CH2)OH;MFCD03840458;AKOS016843170;AC-6620;AS-37739;CS-0170972;(S)-3-Amino-3-(4-fluorophenyl)propanoicacid;(s)-3-amino-3-(4-fluorophenyl)propionicacid;EN300-105899;(s)-3-amino-3-(4-fluoro-phenyl)-propanoic acid;(S)-3-(P-FLUOROPHENYL)-BETA-ALANINE

Suppliers and Price of (S)-3-Amino-3-(4-fluoro-phenyl)-propionic acid

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

TRC
(S)-3-Amino-3-(4-fluorophenyl)propionicAcid
50mg
$ 45.00

TRC
(S)-3-Amino-3-(4-fluorophenyl)propionicAcid
100mg
$ 60.00

JR MediChem
Benzenepropanoicacid,?-amino-4-fluoro-,(?S)- 96%
25g
$ 4980.00

JR MediChem
Benzenepropanoicacid,?-amino-4-fluoro-,(?S)- 96%
5g
$ 1280.00

JR MediChem
Benzenepropanoicacid,?-amino-4-fluoro-,(?S)- 96%
1g
$ 398.00

Crysdot
(S)-3-Amino-3-(4-fluorophenyl)propionicacid 97%
1g
$ 102.00

Crysdot
(S)-3-Amino-3-(4-fluorophenyl)propionicacid 97%
5g
$ 460.00

ChemPep
H-β-Phe(4-F)-OH
25g
$ 1140.00

ChemPep
H-β-Phe(4-F)-OH
5g
$ 380.00

Chem-Impex
(S)-3-Amino-3-(4-fluorophenyl)propionicacid,≥98%(HPLC) ≥98%(HPLC)
250MG
$ 58.24

Total 53 raw suppliers

Chemical Property of (S)-3-Amino-3-(4-fluoro-phenyl)-propionic acid

Chemical Property:

Vapor Pressure:0.000287mmHg at 25°C
Refractive Index:1.554
Boiling Point:308.829 °C at 760 mmHg
PKA:3.66±0.10(Predicted)
Flash Point:140.575 °C
PSA：63.32000
Density:1.29 g/cm³
LogP:2.00050
Storage Temp.:2-8°C(protect from light)
XLogP3:-1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:183.06955672
Heavy Atom Count:13
Complexity:179

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-Amino-3-(4-fluorophenyl)propionicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(CC(=O)O)N)F
Isomeric SMILES:C1=CC(=CC=C1[C@H](CC(=O)O)N)F

Technology Process of (S)-3-Amino-3-(4-fluoro-phenyl)-propionic acid

There total 14 articles about (S)-3-Amino-3-(4-fluoro-phenyl)-propionic 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: 96.0%

: 1393363-74-0
tert-butyl (S)-3-amino-3-(4'-fluorophenyl)propanoate

: 151911-33-0
(S)-β-amino-β-(4-fluorophenyl)propionic acid

Guidance literature:: tert-butyl (S)-3-amino-3-(4'-fluorophenyl)propanoate; With hydrogenchloride; water; for 6h; Reflux;

With ammonium hydroxide; In water;
DOI:10.1016/j.tetasy.2012.07.001

Reference yield: 46.0%

: n-propyl 3-amino-3-(4-fluorophenyl)propionate

: C₁₂H₁₆FNO₂

: 151911-33-0
(S)-β-amino-β-(4-fluorophenyl)propionic acid

Guidance literature:: With Amano Lipase PS; water; In tert-butyl methyl ether; for 15h; pH=8.2; optical yield given as %ee; enantioselective reaction; Enzymatic reaction;
DOI:10.1021/op200084g

Reference yield:

: 51-65-0
4-Fluorophenylalanine

: 18125-46-7
(R)-4-fluorophenylalanine

: 459-32-5
(E)-4-fluorocinnamic acid

: 151911-33-0
(S)-β-amino-β-(4-fluorophenyl)propionic acid

Guidance literature:: With phenylalanine 2,3-aminomutase from Pantoea agglomerans; ammonium carbonate; at 20 ℃; for 20h; pH=8; enantioselective reaction; Enzymatic reaction;
DOI:10.1039/c6ra02964g