2-((Tert-butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid

Base Information

Chemical Name:2-((Tert-butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid
CAS No.:226924-21-6
Molecular Formula:C15H18N2O4
Molecular Weight:290.319
Hs Code.:
DSSTox Substance ID:DTXSID001216385
Mol file:226924-21-6.mol

Synonyms:226924-21-6;2-Cyano-N-Boc-DL-phenylalanine;2-((TERT-BUTOXYCARBONYL)AMINO)-3-(2-CYANOPHENYL)PROPANOIC ACID;3-(2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid;(R)-2-((tert-Butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid;Boc-D-2-cyanophenylalanine;2-{[(tert-butoxy)carbonyl]amino}-3-(2-cyanophenyl)propanoic acid;Boc-D-2-Cyanophe;Boc-L-2-Cyanophe;3-AminobenzoicAcid;SCHEMBL3812344;DTXSID001216385;MFCD09756564;AKOS025243652;AS-71425;FT-0643986;FT-0643987;FT-0653946;W13627;A818213;2-Cyano-N-[(1,1-dimethylethoxy)carbonyl]phenylalanine;2-((t-Butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid (Boc-DL-Phe(2-CN)-OH);3-(2-cyanophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid

Suppliers and Price of 2-((Tert-butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic 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

AK Scientific
2-((tert-butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoicacid
100mg
$ 131.60

Activate Scientific
2-Cyano-N-Boc-DL-phenylalanine 95+%
5 g
$ 401.00

Activate Scientific
2-Cyano-N-Boc-DL-phenylalanine 95+%
1 g
$ 139.00

Activate Scientific
2-Cyano-N-Boc-DL-phenylalanine 95+%
25 g
$ 1159.00

Acrotein
2-Cyano-N-Boc-DL-phenylalanine 97%
25g
$ 825.00

Total 5 raw suppliers

Chemical Property of 2-((Tert-butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid

Chemical Property:

PSA：99.42000
LogP:2.46958
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:290.12665706
Heavy Atom Count:21
Complexity:433

Purity/Quality:

99% ^*data from raw suppliers

2-((tert-butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=CC=CC=C1C#N)C(=O)O

Technology Process of 2-((Tert-butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid

There total 7 articles about 2-((Tert-butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic 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: 84.0%

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

: (RS)-ortho-cyanophenylalanine hydrochloride

: 226924-21-6,261380-28-3
2-tert-butoxycarbonylamino-3-(2-cyanophenyl)propionic acid

Guidance literature:: With sodium hydroxide; In 1,4-dioxane; ethyl acetate; at 20 ℃; pH=8;
DOI:10.1016/S0040-4020(03)00583-0

Reference yield:

: 226924-20-5
2-tert-butoxycarbonylamino-2-(2-cyanobenzyl)malonic acid diethyl ester

: 226924-21-6,261380-28-3
2-tert-butoxycarbonylamino-3-(2-cyanophenyl)propionic acid

Guidance literature:: With sodium hydroxide; In ethanol; water; for 2h; Heating;
DOI:10.1016/j.bmc.2004.04.025

Reference yield:

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

: 226924-21-6,261380-28-3
2-tert-butoxycarbonylamino-3-(2-cyanophenyl)propionic acid

Guidance literature:: Multi-step reaction with 3 steps

1: NaOH / dioxane / 20 °C

2: 8.50 g / sodium ethoxide / ethanol / 3.5 h / Heating

3: NaOH / ethanol; H₂O / 2 h / Heating

With sodium hydroxide; sodium ethanolate; In 1,4-dioxane; ethanol; water;
DOI:10.1016/j.bmc.2004.04.025