Boc-Tyr-OMe (HCID 7019130)

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 properties

XLogP: 1.7
Topological polar surface area: 84.9 Å²
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
SMILES: C(OC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O
CAS DataBase Reference: 4326 · 4326-36-7(CAS DataBase Reference)
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 271 · P271-P261-P280
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29242990 · 29242990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 6 items

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.