(S)-3-(tert-Butyl)-4-(4',6'-dimethoxy-[1,1':3',1''-terphenyl]-5'-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole

Name: (S)-3-(tert-Butyl)-4-(4',6'-dimethoxy-[1,1':3',1''-terphenyl]-5'-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole
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CAS No. 2021201-99-8
Cat. No. CS-0091088
Molecule weight482.55
Purity≥97%
MDL No.MFCD32641163

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(S)-3-(tert-Butyl)-4-(4',6'-dimethoxy-[1,1':3',1''-terphenyl]-5'-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole|CS-0091088

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General Information

CAS No. 2021201-99-8
Cat. No. CS-0091088
Purity ≥97%
MDL No. MFCD32641163
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₁H₃₁O₃P
Molecular Weight 482.55
Synonym(s) None
SMILES COC1=C(C2=CC=CC=C2)C=C(C3=CC=CC=C3)C(OC)=C1C4=C([P@](C(C)(C)C)CO5)C5=CC=C4

Description

This (S)-configured oxaphosphole features a sterically shielded tert-butyl group and a bulky terphenyl scaffold with dual methoxy substituents, enhancing solubility and stability. The electron-rich aryl system facilitates efficient coupling in asymmetric catalysis, while the chiral phosphole core enables precise stereocontrol in transition metal-mediated transformations.

Application

(S)-3-(tert-Butyl)-4-(4',6'-dimethoxy-[1,1':3',1''-terphenyl]-5'-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole serves as a chiral phosphole building block for transition-metal-catalyzed cross-coupling reactions. Its tert-butyl and methoxy-substituted terphenyl groups confer excellent bench stability and solubility, while the oxaphosphole core enables selective functionalization at the 4-position. This scaffold facilitates the synthesis of stereodefined phosphorus-containing heterocycles relevant to ligand development and small-molecule discovery.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 27.69
LogP 7.9604
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 5

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(S)-3-(tert-Butyl)-4-(4',6'-dimethoxy-[1,1':3',1''-terphenyl]-5'-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole

CAS No. 2021201-99-8

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