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Structure

(2S,3S)-(+)-1,4-Bis(diphenylphosphino)-2,3-O-isopropylidene-2,3-butanediol

CAS
37002-48-5
Catalog Number
ACM37002485
Category
Other Products
Molecular Weight
498.543g/mol
Molecular Formula
C31H32O2P2;

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Specification

Synonyms
BP-12279; MFCD00009760; (+)-2,2-Dimethyl-4,5-((diphenylphosphino)dimethyl)dioxolane; AKOS015913393; (4S-trans)-[(2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene)]bis(diphenylphosphine); (4S,5S)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane; (4S,5S)-(+)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane; ST24033354; (4S,5S)-(+)-2,2-DIMETHYL-4,5-BIS((DIPHENYLPHOSPHINO)METHYL)-1,3-DIOXOLANE; (+)-2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane, 98%;
IUPAC Name
[(4S,5S)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane;
Canonical SMILES
CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C;
InChI
InChI=1S/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3/t29-,30-/m1/s1;
InChI Key
VCHDBLPQYJAQSQ-LOYHVIPDSA-N;
Storage
0-6°C
Complexity
528
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
EC Number
253-307-9
Exact Mass
498.188g/mol
H-Bond Acceptor
2
Heavy Atom Count
35
Monoisotopic Mass
498.188g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
18.5A^2
UNII
5P52K0IJ7T
What is the molecular formula of (+)-DIOP?

The molecular formula of (+)-DIOP is C31H32O2P2.

What is the molecular weight of (+)-DIOP?

The molecular weight of (+)-DIOP is 498.5 g/mol.

What are some synonyms for (+)-DIOP?

Some synonyms for (+)-DIOP include 37002-48-5 and (((4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene))bis(diphenylphosphine).

When was (+)-DIOP first created and modified?

(+)-DIOP was first created on 2005-08-09 and last modified on 2023-12-30.

What is the InChIKey of (+)-DIOP?

The InChIKey of (+)-DIOP is VCHDBLPQYJAQSQ-LOYHVIPDSA-N.

How many hydrogen bond acceptors does (+)-DIOP have?

(+)-DIOP has 2 hydrogen bond acceptors.

What is the exact mass of (+)-DIOP?

The exact mass of (+)-DIOP is 498.18775425 g/mol.

How many defined atom stereocenters does (+)-DIOP have?

(+)-DIOP has 2 defined atom stereocenters.

What is the topological polar surface area of (+)-DIOP?

The topological polar surface area of (+)-DIOP is 18.5 Ų.

What is the complexity value of (+)-DIOP?

The complexity value of (+)-DIOP is 528.

Downstream Synthesis Route 1

  • 37002-48-5
  • 96557-26-5

Reference: [1]Journal of Organic Chemistry,1985,vol. 50,p. 2299 - 2302

Downstream Synthesis Route 2

  • 37002-48-5
  • 187989-59-9

Reference: [1]Tetrahedron Letters,1985,vol. 26,p. 2649 - 2652
[2]Russian Chemical Bulletin,2001,vol. 50,p. 1855 - 1859

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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