Basic information
- CAS
7497-12-3- Standard SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
VJAMBZRWYAAZSN-UHFFFAOYSA-N- Molecular formula
- C13H6N4O11
- Average molar mass
- 394.21 g/mol
- Monoisotopic mass
- 394.00330702
Overview
used in the preparation of azapeptides
Names & identifiers
- Preferred name
- Bis(2,4-dinitrophenyl)carbonate
- IUPAC
- bis(2,4-dinitrophenyl) carbonate
- English name
- Bis(2,4-dinitrophenyl) carbonate
- Molecular formula
- C13H6N4O11
- Molecular weight
- 394.21
Names & synonyms
Bis(2,4-dinitrophenyl)carbonate7497-12-3DTXSID50225928Phenol, 2,4-dinitro-, carbonate (2:1) (ester)RefChem:120036DTXCID80148419Bis(2,4-Dinitrophenyl) carbonateCarbonic acid, bis(2,4-dinitrophenyl) esterMFCD00056106orb1986379SCHEMBL1220299SCHEMBL29379815
Show more names
Phenol, 2,4-dinitro-, 1,1'-carbonate
VJAMBZRWYAAZSN-UHFFFAOYSA-NC13H6N4O11NSC405026AKOS040750808NSC 405026NSC-405026AI3-14991B17100
Database identifiers
- CAS
7497-12-3- PubChem CID
- 101282
- DTXSID
DTXSID50225928- Nikkaji
- J909.545D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 595
Physicochemical properties
- Melting point
- 148 °C · 148 °C(Solv: benzene (71-43-2))
- Boiling point
- 583.5 · 583.5±50.0 °C(Predicted)
- Density
- 1.741 · 1.741±0.06 g/cm3(Predicted)
- solubility
- 3 · sol EtOAc, pyridine, DMF, CHCl3; moderately sol benzene; insol hexane; dec hot H2O, EtOH
- color
- yellow solid
Chemistry & industry
Applications
DescriptionBis(2,4-dinitrophenyl)carbonate is used in the preparation of azapeptides.
UsesPeptide and azapeptide coupling reagent that functions by activating amines, forming derivatives suitable for condensation with N-protected amino acids; converts carboxylic acids to activated esters.
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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