4-Cyano-L-Phenylalanine

Base Information

Chemical Name:4-Cyano-L-Phenylalanine
CAS No.:167479-78-9
Molecular Formula:C10H10N2O2
Molecular Weight:190.202
Hs Code.:2926909090
European Community (EC) Number:640-517-4
DSSTox Substance ID:DTXSID30937335
Nikkaji Number:J1.088.885I
Wikidata:Q27454596
Mol file:167479-78-9.mol

Synonyms:4-cyano-L-phenylalanine;p-cyanophenylalanine

Suppliers and Price of 4-Cyano-L-Phenylalanine

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
4-Cyano-L-phenylalanine 99+%
1g
$ 245.00

TRC
L-(S)-4-Cyanophenylalanine
250mg
$ 45.00

TRC
L-(S)-4-Cyanophenylalanine
1g
$ 110.00

SynQuest Laboratories
4-Cyano-L-phenylalanine 99%
5 g
$ 221.00

Crysdot
H-Phe(4-CN)-OH 98%
10g
$ 226.00

Crysdot
H-Phe(4-CN)-OH 98%
25g
$ 452.00

ChemPep
H-Phe(4-CN)-OH
5g
$ 275.00

ChemPep
H-Phe(4-CN)-OH
25g
$ 825.00

Chemenu
L-4-Cyanophenylalanine 98%
25g
$ 524.00

Chemenu
L-4-Cyanophenylalanine 98%
5g
$ 184.00

Total 55 raw suppliers

Chemical Property of 4-Cyano-L-Phenylalanine

Chemical Property:

Appearance/Colour:White powder
Vapor Pressure:6.43E-07mmHg at 25°C
Melting Point:-243oC
Refractive Index:1.595
Boiling Point:394.1 °C at 760 mmHg
PKA:2.13±0.10(Predicted)
Flash Point:192.1 °C
PSA：87.11000
Density:1.28 g/cm³
LogP:1.21298
Storage Temp.:-15°C
Water Solubility.:Slightly soluble in water.
XLogP3:-1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:190.074227566
Heavy Atom Count:14
Complexity:248

Purity/Quality:

99%, ^*data from raw suppliers

4-Cyano-L-phenylalanine 99+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CC(C(=O)O)N)C#N
Isomeric SMILES:C1=CC(=CC=C1C[C@@H](C(=O)O)N)C#N
Uses 4-Cyano-L-phenylalanine used as a intermediate in organic synthesis, pharmaceutical, chemical research and biochemical application.

Technology Process of 4-Cyano-L-Phenylalanine

There total 7 articles about 4-Cyano-L-Phenylalanine 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: 70.7%

: 146664-08-6,193270-06-3
N-acetyl-4-cyano-D,L-phenylalanine

: 167479-78-9
(S)-4-Cyanophenylalanine

Guidance literature:: With lithium hydroxide; for 56h; porcine kidney acylase, pH 7.2-7.5;
DOI:10.1021/jm950112e

Reference yield: 58.0%

: 18664-39-6
3-(4-cyanophenyl)acrylic acid

: 167479-78-9
(S)-4-Cyanophenylalanine

Guidance literature:: With ammonium hydroxide; borane-ammonia complex; In aq. buffer; at 37 ℃; pH=9.6; Reagent/catalyst; Enzymatic reaction;
DOI:10.1002/anie.201410670

Reference yield:

: 17201-43-3
4-cyanobenzyl bromide

: 167479-78-9
(S)-4-Cyanophenylalanine

Guidance literature:: Multi-step reaction with 2 steps

1.1: KI; NaOEt / dioxane / Heating

1.2: aq. NaOH / Heating

2.1: acylase / H₂O / 36 °C / pH 6.5

With acylase; sodium ethanolate; potassium iodide; In 1,4-dioxane; water; 1.1: Condensation / 1.2: Hydrolysis / 2.1: Deacetylation;
DOI:10.1016/S0960-894X(99)00412-6