(3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine

Catalog Number	ACM213843904-1
CAS	213843-90-4
Structure
Synonyms	(3aR,8aR)-(−)-(2,2-Dimethyl-4,4,8,8-tetraphenyl-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)dimethylamine
IUPAC Name	(3aR,8aR)-N,N,2,2-tetramethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine
Molecular Weight	539.60
Molecular Formula	C33H34NO4P
InChI	DRPNADVMTMEWQY-LOYHVIPDSA-N
InChI Key	InChI=1S/C33H34NO4P/c1-31(2)35-29-30(36-31)33(27-21-13-7-14-22-27,28-23-15-8-16-24-28)38-39(34(3)4)37-32(29,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24,29-30H,1-4H3/t29-,30-/m1/s1
Boiling Point	569.8±50.0 °C(Predicted)
Melting Point	218-221 °C
Purity	98%+
Appearance	Solid
Isomeric SMILES	CC1(O[C@@H]2[C@@H](O1)C(OP(OC2(C3=CC=CC=C3)C4=CC=CC=C4)N(C)C)(C5=CC=CC=C5)C6=CC=CC=C6)C
pKa	2.44±0.70(Predicted)

Q&A

What is the molecular formula of (3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The molecular formula is C33H34NO4P.

What is the exact mass of (3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The exact mass is 539.22254556.

What is the IUPAC name of (3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The IUPAC name is (3aR,8aR)-N,N,2,2-tetramethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine.

How many hydrogen bond acceptors does (3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine have?

(3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine has 5 hydrogen bond acceptors.

Is (3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine optically active?

Yes, (3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine has 2 defined atom stereocenters, making it optically active.

What is the canonical SMILES representation of (3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The canonical SMILES is CC1(OC2C(O1)C(OP(OC2(C3=CC=CC=C3)C4=CC=CC=C4)N(C)C)(C5=CC=CC=C5)C6=CC=CC=C6)C.

What is the XLogP3 value of (3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The XLogP3 value is 6.4.

Are there any undefined atom stereocenters in (3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

No, there are 0 undefined atom stereocenters.

What is the CAS number of (3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The CAS number is 213843-90-4.