449520

Chlorocyclopentadienyl[(4R,5R)-2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato]titanium

97%

Manufacturer: Sigma Aldrich

CAS Number: 132068-98-5

Synonym(S): (4R,5R)-Chloro-cyclopentadienyl-[2,2-dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]titanium, (R,R)-Duthaler-Hafner reagent, [(4R,5R)-2,2-Dimethyl-1,3-dioxolan-4,5-bis(diphenylmethoxy)]cyclopentadienyl-chlorotitanium

Select a Size

Pack Size SKU Availability Price
100 MG 449520-100-MG In Stock ₹ 4,319.18

449520 - 100 MG

₹ 4,319.18

In Stock

Quantity

1

Base Price: ₹ 4,319.18

GST (18%): ₹ 777.452

Total Price: ₹ 5,096.632

Quality Level

200

Assay

97%

optical activity

[α]20/D -246°, c = 1 in chloroform

mp

209-213 °C (lit.)

SMILES string

Cl[Ti].[CH]1[CH][CH][CH][CH]1.CC2(C)O[C@H]([C@@H](O2)C(O)(c3ccccc3)c4ccccc4)C(O)(c5ccccc5)c6ccccc6

InChI

1S/C31H30O4.C5H5.ClH.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-2-4-5-3-1;;/h3-22,27-28,32-33H,1-2H3;1-5H;1H;/q;;;+1/p-1/t27-,28-;;;/m1.../s1

InChI key

LTNGUQMGXWBBMV-CRMRIEQBSA-M

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Description

  • Application: A novel highly enantioselective allyl-transfer reagent. Excellent regio-, diastereo-, and enantioselectivities (usually >95% ee, >95% de) are obtained for the addition of allyl nucleophiles to aldehydes.[1][2][3][4] Although this reagent is used in stoichiometric amounts, the chiral ligand and monocyclopentadienyltitanium trichloride can be easily recovered.[5]
  • Packaging: Bottomless glass bottle. Contents are inside inserted fused cone.

SAFETY INFORMATION

Pictograms

GHS05

Signal Word

Danger

Hazard Statements

H314

Precautionary Statements

P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363

Hazard Classifications

Skin Corr. 1B

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Show Difference

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Sigma Aldrich

449520

97%...


Quality Level:
200

Assay:
97%

optical activity:
[α]20/D -246°, c = 1 in chloroform

mp:
209-213 °C (lit.)

SMILES string:
Cl[Ti].[CH]1[CH][CH][CH][CH]1.CC2(C)O[C@H]([C@@H](O2)C(O)(c3ccccc3)c4ccccc4)C(O)(c5ccccc5)c6ccccc6

InChI:
1S/C31H30O4.C5H5.ClH.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-2-4-5-3-1;;/h3-22,27-28,32-33H,1-2H3;1-5H;1H;/q;;;+1/p-1/t27-,28-;;;/m1.../s1

InChI key:
LTNGUQMGXWBBMV-CRMRIEQBSA-M

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Sigma Aldrich

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Quality Level:
100

Assay:
≥98.0% (dried material)

optical activity:
__

mp:
__

SMILES string:
O.CC(O)C(=O)O[Fe]OC(=O)C(C)O

InChI:
1S/2C3H6O3.Fe.H2O/c2*1-2(4)3(5)6;;/h2*2,4H,1H3,(H,5,6);;1H2/q;;+2;/p-2

InChI key:
FDSNKEJXJCZFLE-UHFFFAOYSA-L

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Fischer Scientific

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optical activity:
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SMILES string:
__

InChI:
__

InChI key:
__

Img

Sigma Aldrich

449563

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Quality Level:
100

Assay:
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optical activity:
__

mp:
47-50 °C (lit.)

SMILES string:
B.[H]P(c1ccccc1)c2ccccc2

InChI:
1S/C12H11P.BH3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10,13H;1H3

InChI key:
XUFGOLYVDOBYLK-UHFFFAOYSA-N