2,6-Bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide

Basic Information

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CAS Number

874948-63-7

Molecular Formula

C50H57O4P

Molecular Weight

752.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

No data avaiable

Melting Point

No data available

Boiling Point

814.2±75.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Flash Point

446.2±37.1 °C

Vapor Pressure

0.0±3.1 mmHg at 25°C

SMILES

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CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC3=CC=CC=C3C4=C2OP(=O)(OC5=C4C6=CC=CC=C6C=C5C7=C(C=C(C=C7C(C)C)C(C)C)C(C)C)O)C(C)C

InChI

InChI=1S/C50H57O4P/c1-27(2)35-23-39(29(5)6)45(40(24-35)30(7)8)43-21-33-17-13-15-19-37(33)47-48-38-20-16-14-18-34(38)22-44(50(48)54-55(51,52)53-49(43)47)46-41(31(9)10)25-36(28(3)4)26-42(46)32(11)12/h13-32H,1-12H3,(H,51,52)

InChIKey

AGQAQYPGJDBIQR-UHFFFAOYSA-N

LogP

15.605999999999966

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin,4-hydroxy-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]-, 4-oxide, (11bS)-
(11bS)-4-Hydroxy-2,6-bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide
(S)-3,3'-Bis(2,4,6-triisopropylphenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate
(S)-3,3'-Bis(2,4,6-trisopropylphenyl)-1,1'-binapthyl-2,2'-diyl hydrogenphosphate
(S)-TRIP, (11bS)-4-Hydroxy-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]dinaphtho[2,1-d:1μ,2μ-f]-1,3,2-dioxaphosphepin 4-oxide, (S)-3,3μ-Bis(2,4,6-triisopropylphenyl)-1,1μ-bi-2-naphthol cyclic monophosphat
Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 4-hydroxy-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]-, 4-oxide, (11bS)-
(11bS)-4-Hydroxy-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin
(S)-TRIP
(S)-13-hydroxy-10,16-bis(2,4,6-triisopropylphenyl)-12,14-dioxa-13phosphapentacyclo[13.8.0.0211.03?.01?23]tricosa-1(15),2,4,6,8,10,16,18(23),19,21-decaene 13-oxide
(S)-TRIP-PA

MDL Number

MFCD10567009

FAQ

What are the physical and chemical properties of 2,6-Bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide (CAS: 874948-63-7)?

2,6-Bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide has a crystalline form with a molecular weight of approximately 1200 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and ethanol. It is reactive towards nucleophiles and can undergo substitution reactions. The compound is stable under normal laboratory conditions but should be protected from moisture and heat.

How is 2,6-Bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide (CAS: 874948-63-7) typically synthesized?

The compound is typically synthesized through a multistep process involving the reaction of 2,6-di-tert-butyl-4-methylphenyl diphenylphosphine oxide with 2,6-di-tert-butyl-4-methylphenyl 4-oxo-1,3,2-dioxaphospholane. The synthesis involves the use of a catalytic amount of a Lewis acid, and the product is isolated by recrystallization from organic solvents. The yield is around 80-85% with good regioselectivity.

What industries use 2,6-Bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide (CAS: 874948-63-7)?

2,6-Bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide is primarily used in the pharmaceutical industry for its potential as a scaffold for drug development. It may also find applications in the synthesis of other complex organophosphorus compounds, and in the field of materials science for its unique chemical properties.

What precautions should be taken when handling 2,6-Bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide (CAS: 874948-63-7)?

When handling 2,6-Bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be contained and disposed of following standard chemical disposal procedures. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.