5-Isoxazolemethanol, 4,5-dihydro-alpha-methyl-3-phenyl-, [S-(R,S)]-

Base Information

Chemical Name:5-Isoxazolemethanol, 4,5-dihydro-alpha-methyl-3-phenyl-, [S-(R*,S*)]-
CAS No.:122331-40-2
Molecular Formula:C₁₁H₁₃NO₂
Molecular Weight:191.23
Hs Code.:
DSSTox Substance ID:DTXSID201167516
Nikkaji Number:J439.752E

Synonyms:DTXSID201167516;122331-40-2;5-Isoxazolemethanol, 4,5-dihydro-alpha-methyl-3-phenyl-, [S-(R*,S*)]-

Suppliers and Price of 5-Isoxazolemethanol, 4,5-dihydro-alpha-methyl-3-phenyl-, [S-(R*,S*)]-

Supply Marketing:

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

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Chemical Property of 5-Isoxazolemethanol, 4,5-dihydro-alpha-methyl-3-phenyl-, [S-(R*,S*)]-

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:191.094628657
Heavy Atom Count:14
Complexity:221

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C1CC(=NO1)C2=CC=CC=C2)O
Isomeric SMILES:C[C@H]([C@@H]1CC(=NO1)C2=CC=CC=C2)O

Technology Process of 5-Isoxazolemethanol, 4,5-dihydro-alpha-methyl-3-phenyl-, [S-(R*,S*)]-

There total 4 articles about 5-Isoxazolemethanol, 4,5-dihydro-alpha-methyl-3-phenyl-, [S-(R*,S*)]- 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: 46.0%

: 122331-42-4
(S)-(4,5-dihydro-3-phenyl-5-isoxazolyl)ethanone

: 121523-84-0
(αS)-threo-α-methyl-3-phenyl-2-isoxazoline-5-methanol

: 122331-40-2
(1R)-1-<(5S)-4,5-dihydro-3-phenyl-5-isoxazolyl>ethanol

Guidance literature:: With potassium borohydride; potassium bromide; In water; at 0 ℃; for 0.25h; Yield given;

Reference yield:

: 54606-00-7
5-acetyl-4,5-dihydro-3-phenylisoxazole

: 122331-40-2
(1R)-1-<(5S)-4,5-dihydro-3-phenyl-5-isoxazolyl>ethanol

Guidance literature:: Multi-step reaction with 3 steps

1: 45 percent / propan-2-ol; H₂O / 9 h / 30 °C / dry yeast, 2-propanol/water(4:1)

2: 1.) (COCl)2, DMSO, 2.) Et₃N / 1.) CH₂Cl₂, -60 deg C, 30 min, 2.) CH₂Cl₂, -60 deg C to RT

3: 46 percent / 3 M KBr, KBH₄ / H₂O / 0.25 h / 0 °C

With potassium borohydride; oxalyl dichloride; dimethyl sulfoxide; triethylamine; potassium bromide; In water; isopropyl alcohol;

Reference yield:

: 121523-84-0
(αS)-threo-α-methyl-3-phenyl-2-isoxazoline-5-methanol

: 122331-40-2
(1R)-1-<(5S)-4,5-dihydro-3-phenyl-5-isoxazolyl>ethanol

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) (COCl)2, DMSO, 2.) Et₃N / 1.) CH₂Cl₂, -60 deg C, 30 min, 2.) CH₂Cl₂, -60 deg C to RT

2: 46 percent / 3 M KBr, KBH₄ / H₂O / 0.25 h / 0 °C

With potassium borohydride; oxalyl dichloride; dimethyl sulfoxide; triethylamine; potassium bromide; In water;