O-benzyl-N-((tert-butoxy)carbonyl)-L-tyrosine
Basic information
- CAS
2130-96-3- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O- InChIKey
ZAVSPTOJKOFMTA-SFHVURJKSA-N- Molecular formula
- C21H25NO5
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.1732729
Names & identifiers
- Preferred name
- O-benzyl-N-((tert-butoxy)carbonyl)-L-tyrosine
- IUPAC
- (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
- English name
- Boc-O-benzyl-L-tyrosine
- Molecular formula
- C21H25NO5
- Molecular weight
- 371.43
Names & synonyms
DTXSID20175567O-Benzyl-N-((tert-butoxy)carbonyl)-L-tyrosineEINECS 218-349-4NSC 164044O-benzyl-N-[(tert-butoxy)carbonyl]-L-tyrosineRefChem:855202DTXCID5098058218-349-4Boc-Tyr(Bzl)-OH2130-96-3Boc-O-benzyl-L-tyrosineN-Boc-O-benzyl-L-tyrosine
Show more names
BOC-TYR(BZL)Boc-L-Tyr(Bzl)Boc-Tyr(Bz1)-OHBoc-Tyr(BzI)-0HBOC-O-BENZYL-L-TYRBOC-L-Tyr(OBZL)-OH
MFCD00065597N-(tert-Butoxycarbonyl)-O-benzyl-L-tyrosineBoc-L-Tyr(Bzl)-OH(S)-3-(4-(Benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acidO-benzyl-N-(tert-butoxycarbonyl)-L-tyrosineN-tert-Butoxycarbonyl-O-benzyl-L-tyrisineM03335
Database identifiers
- CAS
2130-96-3- PubChem CID
- 98763
- DTXSID
DTXSID20175567- EC Number
- 218-349-4
- Nikkaji
- J298.714G
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
- Melting point
- 110 · 110-112 °C
- alpha
- 27 · 27 º (c=2% in ethanol)
- Boiling point
- 552.4 · 552.4±50.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- refractive index
- 29.5 ° · 29.5 ° (C=2, EtOH)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- almost transparency in EtOH
- pka
- 2.99 · 2.99±0.10(Predicted)
- form
- Powder or Crystalline Powder
- color
- White
- optical activity
- 20 · [α]20/D +27.0±1.5°, c = 2% in ethanol
- BRN
- 2227416 · 2227416
- 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)/t18-/m0/s1
- InChIKey
- ZAVSPTOJKOFMTA-SFHVURJKSA-N
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29242990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261
Chemistry & industry
Applications
UsesBoc-Tyr(Bzl)-OH, is an amino acid building block used in peptide synthesis. With a growing peptide drug market the fast, reliable synthesis of peptides is of great importance.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
47 records
Compound notes
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