ChemicalBook--->CAS DataBase List--->146727-62-0

146727-62-0

146727-62-0 Structure

146727-62-0 Structure
IdentificationMore
[Name]

N-tert-Butoxycarbonyl-4-cyanophenyl-D-alanine
[CAS]

146727-62-0
[Synonyms]

BOC-4-CYANO-D-PHENYLALANINE
BOC-4-CYANO-D-PHE-OH
BOC-D-4-CYANOPHE
BOC-D-4-CYANOPHENYLALANINE
BOC-D-PHE(4-CN)-OH
BOC-D-PHE(P-CN)-OH
BOC-P-CYANO-D-PHENYLALANINE
BOC-P-CYANO-D-PHE-OH
N-ALPHA-T-BUTOXYCARBONYL-(4-CYANO)-D-PHENYLALANINE
N-TERT-BUTOXYCARBONYL-4-CYANOPHENYL-D-ALANINE
RARECHEM BK PT 0161
(R)-N-BOC-4-CYANOPHENYLALANINE
BOC-D-4-CYANOPHENYLALANINE 98%
Boc-D-4-CN-Phe-OH
(R)-N-BOC-4-CYANOPHENYLALANINE 98%
N-alpha-t-Butyloxycarbonyl-4-cyano-D-phenylalanine
(R)-N-BOC-4-CYANOPHENYLALANINE, 95%, 98% EE
(R)-N-BOC-4-Cyanophenylalanine, 98% ee
Boc-D-4-Cyano-phe-OH
[Molecular Formula]

C15H18N2O4
[MDL Number]

MFCD00672527
[Molecular Weight]

290.31
[MOL File]

146727-62-0.mol
Chemical PropertiesBack Directory
[Appearance]

off-white powder
[Melting point ]

152.6 °C
[Boiling point ]

432.4°C (rough estimate)
[density ]

1.1611 (rough estimate)
[refractive index ]

1.6280 (estimate)
[storage temp. ]

-15°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

Powder
[pka]

3.73±0.10(Predicted)
[Optical Rotation]

Consistent with structure
[BRN ]

9339089
[Major Application]

peptide synthesis
[InChI]

1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-4-6-11(9-16)7-5-10/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
[InChIKey]

RMBLTLXJGNILPG-GFCCVEGCSA-N
[SMILES]

CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)C#N)C(O)=O
[CAS DataBase Reference]

146727-62-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[HS Code ]

29223900
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

off-white powder
[Uses]

N-Boc-4-cyano-D-phenylalanine is used as pharmaceutical intermediate.
[reaction suitability]

reaction type: Boc solid-phase peptide synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

N-tert-Butoxycarbonyl-4-cyanophenyl-D-alanine(146727-62-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(R)-N-BOC-4-Cyanophenylalanine, 98% ee, 95%(146727-62-0)
[Sigma Aldrich]

146727-62-0(sigmaaldrich)
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