Basic information
- CAS
16874-12-7- Standard SMILES
CC(C)(C)OC(=O)C(N)Cc1ccc(O)cc1- InChIKey
DIGHFXIWRPMGSA-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Names & identifiers
- Preferred name
- Tert-butyl tyrosinate
- IUPAC
- tert-butyl 2-amino-3-(4-hydroxyphenyl)propanoate
- English name
- H-D-TYR-OTBU
- Molecular formula
- C13H19NO3
- Molecular weight
- 237.29
Names & synonyms
tert-butyl tyrosinateDTXSID80275830RefChem:383850DTXCID5022720087553-74-0tert-butyl 2-amino-3-(4-hydroxyphenyl)propanoateD-Tyrosine tert-butyl ester88878-78-8L-Tyrosine tert butyl esterSCHEMBL630703DIGHFXIWRPMGSA-UHFFFAOYSA-NEINECS 240-902-3
Show more names
D-Tyr-OtBuH-D-TYR-OTBUD-Tyr-Otbu-OHD-TYROSINE-OTBUH-D-TYR-OTBU USP/EP/BPtert-butyl D-tyrosinateD-TYROSINE-T-BUTYL ESTERD-Tyrosine, 1,1-dimethylethyl estertert-butyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate(R)-2-Amino-3-(4-hydroxy-phenyl)-propionicacidtert-butylester
AKOS009157281LS-14233PD195985EN300-7176362- amino-3-(4-hydroxy-phenyl)-propionic acid tert-butyl ester2-Amino-3-(4-Hydroxy-Phenyl)-Propionic Acid Tert-Butyl Ester
Database identifiers
- CAS
16874-12-7、87553-74-0- PubChem CID
- 86078
- DTXSID
DTXSID80275830
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 142 · 142-143℃
- Boiling point
- 358.1 · 358.1±27.0 °C(Predicted)
- Density
- 1.125 · 1.125
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- pka
- 9.8 · 9.80±0.15(Predicted)
- form
- Solid
- Appearance
- White to off-white Solid
- Water Solubility
- Very slightly soluble in cold water.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H412
- Precautionary statements
- 273 · P273-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36-52
- Safety Statements
- 26 · 26
Safety & regulation
Safety data
- wgk
- 3
- risk_code
- 36-52
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319-H412
- Precautionary statements
- P273-P305+P351+P338
Chemistry & industry
Applications
UsesD-Tyrosine tert-butyl ester is a protected form of D-Tyrosine (T899970). D-Tyrosine is an unnatural isomer of L-Tyrosine (T899975) that inhibits metabolic activity of Bacillus subtilis. It is known to exhibit antimetabolic effects on rats as well, inhibiting growth and development. D-Tyrosine is also a chiral precursor to biosynthesized inhibitors that have antiinflammatory effects in humans.
Suppliers58 total
北京华美互利生物化工010-56205725 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
Related reactions
8 records
Compound notes
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