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Merck
CN

720550

(3aR,8aR)-4,4,8,8-tetrakis(3,5-di-tert-butylphenyl)-2,2-diethyl-6-phenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine

≥94%

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About This Item

Empirical Formula (Hill Notation):
C71H101O4P
CAS Number:
1241684-27-4
Molecular Weight:
1049.53
NACRES:
NA.22
PubChem Substance ID:
329763723
UNSPSC Code:
12352005
MDL number:
MFCD16876059

Key Documents

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Product Name

(3aR,8aR)-4,4,8,8-tetrakis(3,5-di-tert-butylphenyl)-2,2-diethyl-6-phenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine, ≥94%

InChI

1S/C71H101O4P/c1-27-69(28-2)72-59-60(73-69)71(56-42-50(65(15,16)17)36-51(43-56)66(18,19)20,57-44-52(67(21,22)23)37-53(45-57)68(24,25)26)75-76(58-32-30-29-31-33-58)74-70(59,54-38-46(61(3,4)5)34-47(39-54)62(6,7)8)55-40-48(63(9,10)11)35-49(41-55)64(12,13)14/h29-45,59-60H,27-28H2,1-26H3/t59-,60-/m1/s1

SMILES string

CCC1(CC)O[C@@H]2[C@@H](O1)C(OP(OC2(c3cc(cc(c3)C(C)(C)C)C(C)(C)C)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)c5ccccc5)(c6cc(cc(c6)C(C)(C)C)C(C)(C)C)c7cc(cc(c7)C(C)(C)C)C(C)(C)C

InChI key

JKEBUWSLWMBNHR-FNSAWIKJSA-N

assay

≥94%

form

solid

mp

187-193 °C

functional group

ether
ketal

storage temp.

−20°C

Quality Level

100

Application

Reactant for:
  • Preparation of potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk)

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBD1709

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