CAS 98674-82-9|CAS 98674-83-0|(4S)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one|(4S)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one|(S)-...

General Information

Structure

Molecular Formula

C₁₂H₁₇O₅P

Molecular Mass

272.234141

Exact Mass

272.08136027

Charge

InChI

InChI=1S/C12H17O5P/c1-12(2)8-16-18(13,14)17-11(12)9-6-4-5-7-10(9)15-3/h4-7,11H,8H2,1-3H3,(H,13,14)/t11-/m1/s1

InChIKey

HNFXKRNIAWHFJN-LLVKDONJSA-N

Canonic Smiles

COc1ccccc1[C@H]1OP(=O)(O)OCC1(C)C

Isomeric Smiles

P1(=O)(O[C@H](c2c(OC)cccc2)C(CO1)(C)C)O

Calculated Properties

JChem

Acid pKa

1.8512338

H Acceptors

H Donor

LogD (pH = 5.5)

-0.13140187

LogD (pH = 7.4)

-0.15361162

Log P

2.2224965

Molar Refractivity

66.0182

Polarizability

26.510054

Polar Surface Area

64.99

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(4S)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one (4S)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2λ⁵-dioxaphosphinan-2-one

IUPAC Traditional name

(4S)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one (4S)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2λ⁵-dioxaphosphinan-2-one

Synonyms

(S)-(-)-Anicyphos(S)-(-)-2-Hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaphosphorinane 2-oxide(S)-(-)-2-羟基-4-(2-甲氧苯基)-5,5-二甲基-1,3,2-二噁磷己环 2-氧化物(s)-(-)-Anicyphos(4S)-(-)-5,5-Dimethyl-2-hydroxy-4-(2-methoxyphenyl)-1,3,2-dioxaphosphinane 2-oxide(4S)-(-)-5,5-Dimethyl-4-(2-methoxyphenyl)-1,3,2-dioxaphosphinan-2-ol 2-oxide

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

>99%

97%

C12H17O5P

Physical Property

194-196 °C(lit.)

[α]22/D -59°, c = 1 in methanol

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

464384

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Chiral phosphoric acid used for the resolution of amines, amino acids, and amino alcohols.1,2,3

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

(4S)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one (4S)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2λ⁵-dioxaphosphinan-2-one

IUPAC Traditional name

(4S)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one (4S)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2λ⁵-dioxaphosphinan-2-one

Synonyms

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Molecule Details

464384

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Chiral phosphoric acid used for the resolution of amines, amino acids, and amino alcohols.1,2,3

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Product Information

>99%

97%

C12H17O5P

Physical Property

194-196 °C(lit.)

[α]22/D -59°, c = 1 in methanol

Molecule

ID:44817