Boc-O-benzyl-D-tyrosine
Basic information
- CAS
2130-96-3- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O- InChIKey
ZAVSPTOJKOFMTA-UHFFFAOYSA-N- Molecular formula
- C21H25NO5
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- Boc-O-benzyl-D-tyrosine
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
- English name
- Boc-D-Tyr(Bzl)-OH
- Molecular formula
- C21H25NO5
- Molecular weight
- 371.43
Names & synonyms
Boc-O-benzyl-D-tyrosine247088-45-53-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acidN-Boc-O-(phenylmethyl)-DL-tyrosine54784-43-9MFCD00353582Boc-O-benzyl-D-TyrN-alpha-t-Boc-O-benzyl-L-tyrosine2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acidNSC334366N-Boc-O-benzyl-DL-tyrosineSCHEMBL193474
Show more names
Boc-D-Tyr(Bzl)Boc-D-Tyr(Bzl)-OHBOC-D-TYROSINE(BZL)-OHBoc-D-Tyr(Bzl)-OH, 95 %BOC-D-TYR(BZL)-OH USP/EP/BPN-Boc-O-benzyl-D-tyrosine,95%N-ALPHA-T-BOC-O-BENZYL-D-TYROSINEN-Boc-4-benzyloxy-D-phenylalanine
ZAVSPTOJKOFMTA-UHFFFAOYSA-N3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoic acidNSC164044SBB058110AKOS002964941AKOS016194389NSC-164044NSC-334366
Database identifiers
- CAS
2130-96-3、63769-58-4- PubChem CID
- 294897
- Nikkaji
- J1.110.586F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Boiling point
- 552.4 · 552.4±50.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- storage temp.
- 30 °C · Store below +30°C.
- form
- Solid
- pka
- 2.99 · 2.99±0.10(Predicted)
- Appearance
- White to off-white Solid
- Water Solubility
- Slightly soluble in water.
- Major Application
- peptide synthesis
- InChI
- 1S/C21H25NO5/c1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)
- InChIKey
- ZAVSPTOJKOFMTA-UHFFFAOYSA-N
- SMILES
- N(C(Cc1ccc(cc1)OCc2ccccc2)C(=O)O)C(=O)OC(C)(C)C
- CAS DataBase Reference
- 63769 · 63769-58-4(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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
- wgk
- WGK 2
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesN-Boc-O-benzyl-D-tyrosine is used as a intermediate for pharmaceutical and chemical research.
Upstream & downstream products
Upstream raw materials
Related reactions
13 records
Compound notes
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