N,N-Bis[(1S)-(-)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine

Catalog Number	ACM376355587-1
CAS	376355-58-7
Structure
Synonyms	O,O'-(2,2'-Biphenyldiyl) N,N-bis[(S)-1-phenylethyl]phosphoramidite; (S,S)-N-(5,7-Diox-6-phosphadibenzo[a,c]cyclohepten-6-yl)bis(1-phenylethyl)amine; BIPOL-A1(S)
IUPAC Name	N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
Molecular Weight	439.49
Molecular Formula	C28H26NO2P
InChI	JISGHECLGYELKD-VXKWHMMOSA-N
InChI Key	InChI=1S/C28H26NO2P/c1-21(23-13-5-3-6-14-23)29(22(2)24-15-7-4-8-16-24)32-30-27-19-11-9-17-25(27)26-18-10-12-20-28(26)31-32/h3-22H,1-2H3/t21-,22-/m0/s1
Boiling Point	578.4±53.0 °C(Predicted)
Melting Point	99-102 °C
Purity	99%+
Appearance	Solid
Isomeric SMILES	C[C@@H](C1=CC=CC=C1)N([C@@H](C)C2=CC=CC=C2)P3OC4=CC=CC=C4C5=CC=CC=C5O3
pKa	-0.31±0.20(Predicted)

Q&A

What is the exact mass of N,N-Bis[(1S)-(-)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

The exact mass is 439.17011607.

How many covalently-bonded units are present in N,N-Bis[(1S)-(-)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

There is only 1 covalently-bonded unit in the compound.

What is the molecular weight of N,N-Bis[(1S)-(-)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

The molecular weight is 439.5g/mol.

What is the Canonical SMILES representation of the compound?

C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)P3OC4=CC=CC=C4C5=CC=CC=C5O3

How many hydrogen bond acceptors are present in N,N-Bis[(1S)-(-)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

There are 3 hydrogen bond acceptors in the compound.

Is N,N-Bis[(1S)-(-)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine optically active?

No, it does not have any defined atom stereocenter count.

What is the InChI key for this compound?

The InChI key is BDPQWZPOIGJWIE-UHFFFAOYSA-N.

What is the IUPAC name of N,N-Bis[(1S)-(-)-phenylethyl]dibenzo[d,f][1,3,2]dioxaphosphepin-6-amine?

N,N-bis(2-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine

What is the topological polar surface area of the compound?

The topological polar surface area is 29.5.