2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-phenyl-3-(1-phenylethyl)-, 2-oxide, [S-(R,R)]-

Base Information

Chemical Name:2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-phenyl-3-(1-phenylethyl)-, 2-oxide, [S-(R*,R*)]-
CAS No.:164165-46-2
Molecular Formula:C₁₇H₂₁N₂O₂P
Molecular Weight:316.34
Hs Code.:
DSSTox Substance ID:DTXSID701117578

Synonyms:DTXSID701117578;164165-46-2;2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-phenyl-3-(1-phenylethyl)-, 2-oxide, [S-(R*,R*)]-

Suppliers and Price of 2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-phenyl-3-(1-phenylethyl)-, 2-oxide, [S-(R*,R*)]-

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-phenyl-3-(1-phenylethyl)-, 2-oxide, [S-(R*,R*)]-

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:316.13406491
Heavy Atom Count:22
Complexity:392

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)N2CCCOP2(=O)NC3=CC=CC=C3
Isomeric SMILES:C[C@@H](C1=CC=CC=C1)N2CCCO[P@@]2(=O)NC3=CC=CC=C3

Technology Process of 2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-phenyl-3-(1-phenylethyl)-, 2-oxide, [S-(R*,R*)]-

There total 3 articles about 2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-phenyl-3-(1-phenylethyl)-, 2-oxide, [S-(R*,R*)]- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 22.0%

: 6955-57-3
phenylamidophosphoric dichloride

: 59198-54-8
N-<(S)-α-methylbenzyl>-3-aminopropan-1-ol

: 164165-48-4
(S_CR_P)-2-anilino-3-(α-methylbenzyl)-1,3,2λ⁵-oxazaphosphorinane 2-oxide

: 164165-46-2
(S_CS_P)-2-anilino-3-(α-methylbenzyl)-1,3,2λ⁵-oxazaphosphorinane 2-oxide

Guidance literature:: With triethylamine; In 1,4-dioxane; for 24h; Ambient temperature;
DOI:10.1016/0957-4166(95)00227-G

Reference yield:

: 142-04-1,36663-09-9
aniline hydrochloride

: 164165-46-2
(S_CS_P)-2-anilino-3-(α-methylbenzyl)-1,3,2λ⁵-oxazaphosphorinane 2-oxide

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / POCl₃ / 5 h / 120 - 140 °C

2: 22 percent / Et₃N / dioxane / 24 h / 20 °C

With triethylamine; trichlorophosphate; In 1,4-dioxane;

Reference yield:

: 113531-09-2
2(S)-chloro-3-<(S)-α-methylbenzyl>-1,3,2-oxazaphophorinane 2-oxide

: 62-53-3
aniline

: 164165-46-2
(S_CS_P)-2-anilino-3-(α-methylbenzyl)-1,3,2λ⁵-oxazaphosphorinane 2-oxide

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1.) THF, hexane, -60 deg C, 5 min, 2.) THF, hexane, a) -60 deg C, 10 min, b) 0.5 h;
DOI:10.1016/0957-4166(95)00227-G