tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate
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Basic information
- CAS
146651-71-0- Standard SMILES
CC(C)(C)OC(=O)NC(CO)(CO)CO- InChIKey
PYFXOUCQTPUBOG-UHFFFAOYSA-N- Molecular formula
- C9H19NO5
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.12632271
Names & identifiers
- Preferred name
- tert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate
- IUPAC
- tert-butyl N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamate
- English name
- tert-Butyl N-[2-hydroxy-1,1-bis(hydroxymethyl)-ethyl]carbamate
- Molecular formula
- C9H19NO5
- Molecular weight
- 221.25
Names & synonyms
146651-71-0Tert-Butyl (1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamateDTXSID30337896tert-Butyl [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamateRefChem:1099471DTXCID60288983tert-Butyl N-[2-hydroxy-1,1-bis(hydroxymethyl)-ethyl]carbamateN-Boc-TrisMFCD14581676tert-butyl N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamatetert-butyl N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamatetert-Butyl N-tris(hydroxymethyl)methylcarbamate
Show more names
2-(Boc-amino)-2-(hydroxymethyl)propane-1,3-diol2-Methyl-2-propanyl [1,3-dihydroxy-2-(hydroxymethyl)-2-propanyl]carbamatetert-Butyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate - [B72437][2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-1,1-dimethylethyl Carbamic acid esterCarbamic acid, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester
N-Boc-tris(hydroxymethyl)aminomethaneSB79877SS-3076C70713N-Boc-tris(hydroxtert-ButylN-[2-hydroxy-1,1-bis(hydroxymethyl)-ethyl]carbamateorb3021966SCHEMBL6823074
Database identifiers
- CAS
146651-71-0- PubChem CID
- 545378
- DTXSID
DTXSID30337896- Nikkaji
- J2.489.593I
Properties
Computed structural propertiesFilling in
- XLogP
- -1.2
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 144 · 144-146 °C(Solv: tetrahydrofuran (109-99-9))
- Boiling point
- 430.5 · 430.5±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- pka
- 10.66 · 10.66±0.46(Predicted)
- InChI
- InChI=1S/C9H19NO5/c1-8(2,3)15-7(14)10-9(4-11,5-12)6-13/h11-13H,4-6H2,1-3H3,(H,10,14)
- InChIKey
- PYFXOUCQTPUBOG-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NC(CO)(CO)CO
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Applications
DescriptionN-Boc-Tris contains an acid labile, Boc protecting group.
UsesN-Boc-Tris is a protective reagent. N-Boc-Tris can utilize the Boc protecting group to protect amino groups in fields such as organic synthesis and pharmaceutical research and development, thereby avoiding unnecessary side reactions.
Related reactions
0 records
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Compound notes
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