Boc-Tyr-OMe
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Basic information
- CAS
4326-36-7- Standard SMILES
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C- InChIKey
NQIFXJSLCUJHBB-LBPRGKRZSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- Boc-Tyr-OMe
- IUPAC
- methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- English name
- Boc-L-Tyrosine methyl ester
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
Boc-Tyr-OMe4326-36-7DTXSID60427077RefChem:330068DTXCID50377911805-703-3Boc-L-tyrosine methyl esterN-(tert-Butoxycarbonyl)-L-tyrosine methyl esterMFCD00191181N-Boc-L-tyrosine Methyl Estermethyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoatemethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Show more names
BOC-L-TYR-OMEBoc-Tyr-OMe 97%N-BOC-L-Tyr-OmeBOC-TYROSINE-OME-Tyrosine methyLBoc-L-Tyr-Ome-OHBoc-L-Tyrosine methyMethyl N-Boc-L-tyrosinate
methyl N-(tert-butoxycarbonyl)-L-tyrosinateM03336Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoateN-Boc-tyrosine methyl ester(S)-2-tert-butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionic acid methyl ester(S)-2-tert-Butoxycarbonylamino-3-[4-hydroxy-phenyl]-propionic acid methyl esterOctreotide Impurity 75
Database identifiers
- CAS
4326-36-7- PubChem CID
- 7019130
- DTXSID
DTXSID60427077- EC Number
- 805-703-3
- Nikkaji
- J465.574E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 100 · 100-104 °C(lit.)
- alpha
- 51 · 51 º (c=1 in chloroform)
- Boiling point
- 452.7 · 452.7±40.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- refractive index
- 50 ° · 50 ° (C=1, MeOH)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- almost transparency in Methanol
- pka
- 9.75 · 9.75±0.15(Predicted)
- form
- Powder or Crystalline Powder
- color
- White to pale yellow
- optical activity
- 22 · [α]22/D +51°, c = 1 in chloroform
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1
- InChIKey
- NQIFXJSLCUJHBB-LBPRGKRZSA-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
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (25%)；Eye Irrit. 2A (25%)；STOT SE 3 (25%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29242990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
Chemistry & industry
Applications
Usespeptide synthesis
Upstream & downstream products
Downstream products
Related reactions
65 records
Compound notes
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