2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(4-cyanophenyl)propanoate

Base Information

Chemical Name:2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(4-cyanophenyl)propanoate
CAS No.:146727-62-0
Molecular Formula:C15H18N2O4
Molecular Weight:290.319
Hs Code.:29223900
DSSTox Substance ID:DTXSID40932896
Wikidata:Q72448955
Mol file:146727-62-0.mol

Synonyms:DTXSID40932896;A808544;2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(4-cyanophenyl)propanoate;(2R)-2-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)propanoate;N-Boc-4-cyano-D-phenylalanine

Suppliers and Price of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(4-cyanophenyl)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-4-cyano-D-phenylalanine 99+%
1g
$ 213.00

Usbiological
Boc-D-4-Cyanophenylalanine
250mg
$ 360.00

TRC
Boc-D-4-Cyanophenylalanine
500mg
$ 90.00

Sigma-Aldrich
Boc-D-Phe(4-CN)-OH ≥97.0% (TLC)
5g
$ 1210.00

Sigma-Aldrich
Boc-D-Phe(4-CN)-OH ≥97.0% (TLC)
1g
$ 297.00

Matrix Scientific
Boc-4-cyano-D-phenylalanine
1g
$ 273.00

Matrix Scientific
Boc-4-cyano-D-phenylalanine
5g
$ 1092.00

Iris Biotech GmbH
Boc-D-Phe(4-CN)-OH
25 g
$ 2389.50

Iris Biotech GmbH
Boc-D-Phe(4-CN)-OH
5 g
$ 675.00

Iris Biotech GmbH
Boc-D-Phe(4-CN)-OH
1 g
$ 236.25

Total 55 raw suppliers

Chemical Property of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(4-cyanophenyl)propanoate

Chemical Property:

Appearance/Colour:off-white powder
Vapor Pressure:1.41E-10mmHg at 25°C
Melting Point:152.6 °C
Refractive Index:1.6280 (estimate)
Boiling Point:494 °C at 760 mmHg
PKA:3.73±0.10(Predicted)
Flash Point:252.6 °C
PSA：99.42000
Density:1.22 g/cm₃
LogP:2.46958
Storage Temp.:-15°C
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:289.11883203
Heavy Atom Count:21
Complexity:419

Purity/Quality:

97% ^*data from raw suppliers

Boc-4-cyano-D-phenylalanine 99+% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C#N)C(=O)[O-]
Isomeric SMILES:CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)C#N)C(=O)[O-]
Uses N-Boc-4-cyano-D-phenylalanine is used as pharmaceutical intermediate.

Technology Process of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(4-cyanophenyl)propanoate

There total 4 articles about 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(4-cyanophenyl)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%