cis-beta-Methylstyrene oxide

Base Information

• Chemical Name: cis-beta-Methylstyrene oxide
• CAS No.: 14212-54-5
• Molecular Formula: C9H10 O
• Molecular Weight: 134.178
• Hs Code.: 2910900090
• European Community (EC) Number: 624-038-8
• Nikkaji Number: J323.716H
• Mol file: 14212-54-5.mol

Synonyms:cis-beta-Methylstyrene oxide;14212-54-5;(2R,3S)-2-methyl-3-phenyloxirane;Oxirane, 2-methyl-3-phenyl-, cis-;Rel-(2R,3R)-2-methyl-3-phenyloxirane;Rel-(2R,3S)-2-methyl-3-phenyloxirane;4541-87-1;(1R,2R)-(+)-1-PHENYLPROPYLENEOXIDE;cis-2-methyl-3-phenyloxirane;SCHEMBL4620826;YVCOJTATJWDGEU-VXNVDRBHSA-N;14212-53-4;23355-97-7;(2R,3S)-2-Methyl-3-phenyl-oxirane;(2R)-2alpha-Methyl-3alpha-phenyloxirane

Chemical Property of cis-beta-Methylstyrene oxide

Chemical Property:

• Vapor Pressure: 0.416mmHg at 25°C
• Refractive Index: n20/D 1.518(lit.)
• Boiling Point: 202.5°Cat760mmHg
• Flash Point: 68.9°C
• PSA: 12.53000
• Density: 1.044g/cm³
• LogP: 2.14640
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

(1R,2R)-(+)-1-Phenylpropylene oxide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1C(O1)C2=CC=CC=C2
• Isomeric SMILES: C[C@@H]1[C@@H](O1)C2=CC=CC=C2
• Uses: Chiral building block. Tool for studying enzyme hydrolysis rates.

Technology Process of cis-beta-Methylstyrene oxide

There total 109 articles about cis-beta-Methylstyrene oxide 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: 100.0%

aniline (62-53-3) + 1-phenylpropylene oxide (23355-97-7) → erythro-1-phenyl-1-(phenylamino)propan-2-ol + (+)-(R,R)-β-methylstyrene oxide (14212-54-5)

Guidance literature:

With C₆₈H₉₂Cr₂N₈O₄⁽²⁺⁾*2Cl^(1-); In methanol; dichloromethane; at 20 ℃; for 18h; optical yield given as %ee; enantioselective reaction;

DOI:10.1016/j.tet.2011.08.077

Reference yield: 95.0%

1-propenylbenzene (873-66-5) → (1S,2S)-(-)-1-phenyl-1-propene oxide (4518-66-5) + (+)-(R,R)-β-methylstyrene oxide (14212-54-5)

Guidance literature:

With C₆₀H₄₂Cl₅N₂O₃Ru; oxygen; In chlorobenzene; at 25 ℃; for 24h; optical yield given as %ee; enantioselective reaction;

DOI:10.1002/anie.201201848

Reference yield: 94.0%

1-propenylbenzene (873-66-5) → (+)-(R,R)-β-methylstyrene oxide (14212-54-5)

Guidance literature:

With Oxone; Shi's ketone; tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; potassium hydroxide; In water; acetonitrile; at 0 ℃; for 3.5h; enantioselective reaction; Cooling with ice;

DOI:10.15227/orgsyn.080.0009

upstream raw materials:

1-propenylbenzene

(-)-2-<(S)-N-(α-methylbenzyl)-N-benzylsulfamyl>-3-(pentafluorophenyl)oxaziridine

cis-1-phenyl-1-propylene

(1S,2R)-(+)-N-methylephedrine

Downstream raw materials:

(1R,2S)-1-phenylpropane-1,2-diol

(1R,2R)-1-phenylpropane-1,2-diol

1-phenyl-1,2-propandiol

(1S,2R)-<1-2H>-1-phenylpropan-2-ol