2-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoic acid
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Basic information
- CAS
141895-35-4- Standard SMILES
COc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc1- InChIKey
SLWWWZWJISHVOU-UHFFFAOYSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- 2-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoic acid
- IUPAC
- 3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- BOC-DL-TYR(ME)-OH
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
141895-35-4Boc-Dl-Tyr(Me)-Oh2-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoic acidBoc-O-methyl-DL-tyrosineBoc-4-methoxy-DL-phenylalanineBoc-D,L-Tyr(Me)-OHBoc-4-methoxy-DL-Phe-OHMFCD002375743-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic AcidBoc-4-MethoxyphenylalanineM03188L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-methyl-
Show more names
Boc-4-Ome-DL-PheBOC-DL-PHE(ME)-OHBOC-DL-PHE(4-OME)-OHBOC-DL-TYROSINE(ME)-OHBOC-P-METHOXY-DL-PHE-OHBoc-π-methoxy-DL-Phe-OH
Boc-4-methoxy-D-Phe-OHN-Boc-O-methyl-D-tyrosineSLWWWZWJISHVOU-UHFFFAOYSA-NN-(tert-butoxycarbonyl)-O-methyltyrosineN-ALPHA-T-BUTYLOXYCARBONYL-O-METHYL-L-TYROSINESCHEMBL335310DL-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-methyl-DTXSID10399614
Database identifiers
- CAS
141895-35-4- PubChem CID
- 4126475
- DTXSID
DTXSID10399614
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- 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
- Boiling point
- 462.023 · 462.023±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.996 · 2.996±0.10(predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332
- Precautionary statements
- 261 · P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332
- Precautionary statements
- P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c
Chemistry & industry
Applications
UsesBOC-DL-TYR(ME)-OH is an intermediate used in the preparation of amino acids and peptides.
Related reactions
2 records
Compound notes
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