L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
25024-53-7- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1)C(=O)O- InChIKey
KPGVUOQMOHGHEW-LBPRGKRZSA-N- Molecular formula
- C17H19N5O8
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 421.12336257
Names & identifiers
- Preferred name
- L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)-
- IUPAC
- (2S)-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- BOC-HIS(DNP)-OH
- Molecular formula
- C17H19N5O8
- Molecular weight
- 421.36
Names & synonyms
25024-53-7EINECS 246-569-0N-(tert-Butoxycarbonyl)-1-(2,4-dinitrophenyl)-L-histidineDTXSID30885281L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)-L-Histidine, N-((1,1-dimethylethoxy)carbonyl)-1-(2,4-dinitrophenyl)-N-((1,1-Dimethylethoxy)carbonyl)-1-(2,4-dinitrophenyl)-L-histidineN-[(1,1-Dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)-L-histidineRefChem:796773DTXCID501024670246-569-0Boc-His(Dnp)-OH
Show more names
N-Me-L-PheBOC-HIS(DNP)BOC-L-HISTIDINE (DNP)TBOC-L-HISTIDINE (DNP)BOC-HIS(DNP)-OH IPA 98%BOC-HIS(DNP)-OH USP/EP/BPBOC-L-DINITROPHENYL HISTIDINEna-T-boc-N-im-dnp-L-histidine
MFCD00065966(2S)-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidBoc-L-His(Dnp)-OH(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-(1-(2,4-DINITROPHENYL)-1H-IMIDAZOL-4-YL)PROPANOIC ACIDC17H19N5O8Boc-His(Dnp)-OH isopropanol solvateBOC-HIS(DNP)-OH IPASCHEMBL7284653
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 671
Physicochemical properties
- Melting point
- 98 · 98-100 °C (dec.)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Solid
- optical activity
- 20 · [α]20/D +61±3°, c = 1% in ethyl acetate
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Light Sensitive
- BRN
- 771922 · 771922
- Major Application
- peptide synthesis
- InChI
- 1S/C17H19N5O8/c1-17(2,3)30-16(25)19-12(15(23)24)6-10-8-20(9-18-10)13-5-4-11(21(26)27)7-14(13)22(28)29/h4-5,7-9,12H,6H2,1-3H3,(H,19,25)(H,23,24)/t12-/m0/s1
- InChIKey
- KPGVUOQMOHGHEW-LBPRGKRZSA-N
- SMILES
- CC(C)(C)OC(=O)N[C@@H](Cc1cn(cn1)-c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C(O)=O
- CAS DataBase Reference
- 25024 · 25024-53-7(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- Symbol(GHS)
- GHS05
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H314
- Precautionary statements
- P264b-P271-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P403+P233-P501c
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationL-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)-: INACTIVE
Applications
UsesThe Dnp group is stable to HF and TFMSA.
UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Related reactions
1 records
Compound notes
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