(3aS,3a'S,8aR,8a'R)-2,2'-(1,3-Bis(3,5-di-t-butylphenyl)propane-2,2-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole)

Catalog Number	ACM1435467290
CAS	1435467-29-0
Structure
Synonyms	(S,R)-BDTBIn-SaBOX
IUPAC Name	(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Molecular Weight	735.05
Molecular Formula	C51H62N2O2
InChI	WVVLVBHMBBXGQX-QHQGJXSCSA-N
InChI Key	InChI=1S/C51H62N2O2/c1-47(2,3)35-21-31(22-36(27-35)48(4,5)6)29-51(45-52-43-39-19-15-13-17-33(39)25-41(43)54-45,46-53-44-40-20-16-14-18-34(40)26-42(44)55-46)30-32-23-37(49(7,8)9)28-38(24-32)50(10,11)12/h13-24,27-28,41-44H,25-26,29-30H2,1-12H3/t41-,42-,43+,44+/m1/s1
Appearance	White solid
Isomeric SMILES	CC(C)(C)C1=CC(=CC(=C1)CC(CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)(C3=N[C@@H]4[C@H](O3)CC5=CC=CC=C45)C6=N[C@@H]7[C@H](O6)CC8=CC=CC=C78)C(C)(C)C

Q&A

What is the product name for the chemical with CAS number 1435467-29-0?

The product name is (S,R)-BDTBIn-SaBOX.

What are some synonyms for the chemical (S,R)-BDTBIn-SaBOX?

Some synonyms are (3aS,3a'S,8aR,8a'R)-2,2'-(1,3-Bis(3,5-di-t-butylphenyl)propane-2,2-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole) and 8H-Indeno[1,2-d]oxazole.

What is the molecular weight of (S,R)-BDTBIn-SaBOX?

The molecular weight is 735.05 g/mol.

What are the product categories that (S,R)-BDTBIn-SaBOX belongs to?

The product categories are BOX series and Chiral Nitrogen.

What is the boiling point of (S,R)-BDTBIn-SaBOX?

The boiling point is predicted to be 739.4±60.0 °C.

What is the predicted pka value of (S,R)-BDTBIn-SaBOX?

The predicted pka value is 5.47±0.20.

What is the color of (S,R)-BDTBIn-SaBOX?

The color is white.

What is the predicted density of (S,R)-BDTBIn-SaBOX?

The predicted density is 1.11±0.1 g/cm3.

How is (S,R)-BDTBIn-SaBOX used in reactions?

It is used as a ligand in the copper-catalyzed, highly enantioselective cyclopentannulation of indoles with donor-acceptor cyclopropanes.

What are the safety statements associated with (S,R)-BDTBIn-SaBOX?

The safety statements are 26-36.