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β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-(trifluoromethyl)benzenepropanoic acid

HCID 22309331
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
954225-38-8
Standard SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)c1ccccc1C(F)(F)F
InChIKey
DYZRXQICSTZZKP-UHFFFAOYSA-N
Molecular formula
C15H18F3NO4
Average molar mass
333.306 g/mol
Monoisotopic mass
333.11879272

Names & identifiers

Preferred name
β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-(trifluoromethyl)benzenepropanoic acid
IUPAC
3-[(tert-Butoxycarbonyl)amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
English name
Boc-2-TrifluoroMethyl-DL-b-phenylalanine
Molecular formula
C15H18F3NO4
Molecular weight
333.31

Names & synonyms

Boc-2-TrifluoroMethyl-DL-b-phenylalanineBoc-2-Trifluoromethyl-DL-β-PhenylalanineBenzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2-(trifluoromethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid

Database identifiers

CAS
954225-38-8
PubChem CID
22309331
DTXSID
DTXSID701135124

Properties

Physicochemical properties

Boiling point
426.1 · 426.1±45.0 °C(Predicted)
Density
1.269 · 1.269±0.06 g/cm3(Predicted)
storage temp.
Store at Room Tem.
pka
4.2 · 4.20±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

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
H315-H319-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Suppliers12 total

Aceschem Inc.+1-817863-6948 +1-(817)863-6948 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
北京建强伟业科技有限公司(FUSION弗珍试剂品牌)0531-88924771 15614660963 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
艾览(上海)化工科技有限公司400-668-9898 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
上海恒创生物科技有限公司021-20227858 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]

Related reactions

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Compound notes

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