942070-92-0
(S)-METHYL 2-(TERT-BUTOXYCARBONYLAMINO)-3-(3-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PROPANOATE
Name(S)-METHYL 2-(TERT-BUTOXYCARBONYLAMINO)-3-(3-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PROPANOATE
1Identification
【Name】
(S)-METHYL 2-(TERT-BUTOXYCARBONYLAMINO)-3-(3-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PROPANOATE
【CAS】
【MDL】
MFCD12407275
【English Synonyms】
【Formula】
C21 H31 B Cl N O6
【MolWeight】
439.741
【Inchi】
InChI=1S/C21H31BClNO6/c1-19(2,3)28-18(26)24-16(17(25)27-8)11-13-9-14(12-15(23)10-13)22-29-20(4,5)21(6,7)30-22/h9-10,12,16H,11H2,1-8H3,(H,24,26)/t16-/m0/s1
【InChIKey】
InChIKey=QFXQVGCFCGKPBR-INIZCTEOSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)Cl)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
【MOL File】
(S)-METHYL 2-(TERT-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-METHYL 2-(TERT-BUTOXYCARBONYLAMINO)-3-(3-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PROPANOATE.cml