(4S)-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole

Base Information

Chemical Name:(4S)-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole
CAS No.:164858-79-1
Molecular Formula:C25H26NOP
Molecular Weight:387.461
Hs Code.:
DSSTox Substance ID:DTXSID101140072
Nikkaji Number:J1.162.465K
Mol file:164858-79-1.mol

Synonyms:164858-79-1;(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole;(4S)-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole;[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane;(R)-4-(tert-Butyl)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole;(R)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline;(R)-tBu-Phox;SCHEMBL15478440;DTXSID101140072;CS-0088022;D74664;2-[2-(Diphenylphosphino)phenyl]-4alpha-tert-butyl-2-oxazoline;(4R)-4-(1,1-Dimethylethyl)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole

Suppliers and Price of (4S)-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

ChemScene
(R)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline ≥97.0%
250mg
$ 98.00

BLDpharm
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole 98%99%ee
1g
$ 258.00

BLDpharm
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole 98%99%ee
100mg
$ 48.00

BLDpharm
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole 98%99%ee
250mg
$ 98.00

Arctom
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole 98%
100mg
$ 48.00

Arctom
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole 98%
250mg
$ 97.00

Arctom
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole 98%
1g
$ 255.00

Ambeed
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole 98%99%ee
5g
$ 890.00

Ambeed
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole 98%99%ee
1g
$ 258.00

Ambeed
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole 98%99%ee
250mg
$ 98.00

Total 9 raw suppliers

Chemical Property of (4S)-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole

Chemical Property:

Boiling Point:498.9±28.0 °C(Predicted)
PKA:4.44±0.70(Predicted)
PSA：35.18000
LogP:4.07190
Storage Temp.:Inert atmosphere,Store in freezer, under -20°C
XLogP3:5.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:387.175201451
Heavy Atom Count:28
Complexity:509

Purity/Quality:

95% ^*data from raw suppliers

(R)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline ≥97.0% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4
Isomeric SMILES:CC(C)(C)[C@@H]1COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of (4S)-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole

There total 4 articles about (4S)-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole 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: 56.0%

: C₁₃H₁₆BrNO

: 829-85-6
diphenylphosphane

: 164858-79-1
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole

Guidance literature:: diphenylphosphane; With copper(l) iodide; N,N-dimethyl-ethanamine; In toluene; at 20 ℃; for 0.666667h; Schlenk technique; Inert atmosphere;

C₁₃H₁₆BrNO; With caesium carbonate; In toluene; at 110 ℃; for 48h; Schlenk technique; Inert atmosphere;
DOI:10.1002/anie.202105384

Reference yield:

: 26782-71-8
D-tert-leucine

: 164858-79-1
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole

Guidance literature:: Multi-step reaction with 4 steps

1.1: iodine; sodium tetrahydroborate / tetrahydrofuran / 22.5 h / 0 - 80 °C / Schlenk technique; Inert atmosphere

2.1: sodium carbonate / dichloromethane; water / 23 h / 20 °C / Schlenk technique; Inert atmosphere

3.1: triethylamine; methanesulfonyl chloride / dichloromethane / 4.5 h / 0 - 50 °C / Schlenk technique; Inert atmosphere

4.1: copper(l) iodide; N,N-dimethyl-ethanamine / toluene / 0.67 h / 20 °C / Schlenk technique; Inert atmosphere

4.2: 48 h / 110 °C / Schlenk technique; Inert atmosphere

With sodium tetrahydroborate; copper(l) iodide; N,N-dimethyl-ethanamine; iodine; sodium carbonate; methanesulfonyl chloride; triethylamine; In tetrahydrofuran; dichloromethane; water; toluene;
DOI:10.1002/anie.202105384

Reference yield:

: 3907-02-6,93684-72-1,112245-13-3,112245-09-7
(2R)-2-amino-3,3-dimethylbutan-1-ol

: 164858-79-1
(R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium carbonate / dichloromethane; water / 23 h / 20 °C / Schlenk technique; Inert atmosphere

2.1: triethylamine; methanesulfonyl chloride / dichloromethane / 4.5 h / 0 - 50 °C / Schlenk technique; Inert atmosphere

3.1: copper(l) iodide; N,N-dimethyl-ethanamine / toluene / 0.67 h / 20 °C / Schlenk technique; Inert atmosphere

3.2: 48 h / 110 °C / Schlenk technique; Inert atmosphere

With copper(l) iodide; N,N-dimethyl-ethanamine; sodium carbonate; methanesulfonyl chloride; triethylamine; In dichloromethane; water; toluene;
DOI:10.1002/anie.202105384