Boc-D-phenylalanine methyl ester

HCID 637614CAS 77119-84-7
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIKey
SDSWSVBXRBXPRL-GFCCVEGCSA-N
Molecular formula
C15H21NO4
Average molar mass
279.33 g/mol
Monoisotopic mass
279.14705815

Names & identifiers

Preferred name
Boc-D-phenylalanine methyl ester
IUPAC
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
English name
Boc-D-Phe-OMe
Molecular formula
C15H21NO4
Molecular weight
279.33

Names & synonyms

77119-84-7BOC-D-PHENYLALANINE METHYL ESTERDTXSID80348472RefChem:330025DTXCID10299544BOC-D-PHE-OME(R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoateMethyl (tert-butoxycarbonyl)-D-phenylalaninateMFCD00672509methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoateBoc-DPhe-OMeD-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
Show more names
-3-phenylpropanoateN-Boc-D-phenylalaninemethylester,98%N-Boc-(D)-Phenylalanine methyl esterBoc-D-phenylalanine methyl ester, 98%+N-tert-Butoxycarbonyl-D-phenylalanine methyl esterN-α-(t-Butoxycarbonyl)-D-phenylalanine methyl esterN-ALPHA-T-BUTOXYCARBONYL-D-PHENYLALANINE METHYL ESTER
SCHEMBL6292728SDSWSVBXRBXPRL-GFCCVEGCSA-NAKOS015889995HY-W039758AC-24282DS-14176PD197100SY107244

Database identifiers

CAS
77119-84-7
PubChem CID
637614
DTXSID
DTXSID80348472
Nikkaji
J1.218.744K

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
20

Physicochemical properties

Melting point
51 °C · 51 °C
Boiling point
403.7 · 403.7±38.0 °C(Predicted)
Density
1.099 · 1.099±0.06 g/cm3(Predicted)
storage temp.
2 · Sealed in dry,2-8°C
form
Solid
pka
11.17 · 11.17±0.46(Predicted)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

UsesN-Boc-D-phenylalanine methyl ester employed as a primary and secondary intermediate chemical research.

Suppliers41 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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