Basic information
- CAS
167993-21-7- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccccc1C(F)(F)F)C(=O)O- InChIKey
XKMOOODKNPYTEE-UHFFFAOYSA-N- Molecular formula
- C15H18F3NO4
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.11879272
Names & identifiers
- Preferred name
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic Acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
- English name
- BOC-L-2-Trifluoromethylphe
- Molecular formula
- C15H18F3NO4
- Molecular weight
- 333.3
Names & synonyms
Boc-D-2-Trifluoromethylphenylalanine2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic AcidBoc-L-2-Trifluoromethylphenylalanine1259983-56-62-{[(tert-butoxy)carbonyl]amino}-3-[2-(trifluoromethyl)phenyl]propanoic acidBoc-2-(trifluoromethyl)-D-phenylalanineSCHEMBL1350887DTXSID00403370XKMOOODKNPYTEE-UHFFFAOYSA-NAKOS023763900BOC-D-PHE(2-TRIFLUOROMETHYL)-OHBOC-L-PHE(2-TRIFLUOROMETHYL)-OH
Show more names
BOC-PHE(2-CF 3)-OHBOC-L-PHE(2-CF3)-OHRARECHEM BK PT 0128Boc-Phe(2-CF3)-OH, ≥98%BOC-L-2-TRIFLUOROMETHYLPHEBoc-Phe(2-CF3)-OHBOC-D-2-TRIFLUOROMETHYL-PHE-OHBoc-L-2-Trifluoromethyl-phe-OH
Boc-2-(trifluoromethyl)-DL-phenylalanineSY523488N-(tert-Butoxycarbonyl)-2-(trifluoromethyl)phenylalanine2-(tert-butoxycarbonylamino)-3-[2-(trifluoromethyl)phenyl]propanoic acid
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 421.8 · 421.8±45.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- 3.76 · 3.76±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers69 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司
Related reactions
31 records
Compound notes
Loading…