(S)-1-(anthracen-9-yl)-2,2,2-trifluoroethanol

Base Information

• Chemical Name: (S)-1-(anthracen-9-yl)-2,2,2-trifluoroethanol
• CAS No.: 60646-30-2
• Molecular Formula: C16H11 F3 O
• Molecular Weight: 276.258
• Hs Code.: 2906299090
• European Community (EC) Number: 262-348-1
• Nikkaji Number: J236.617G
• Mol file: 60646-30-2.mol

Synonyms:60646-30-2;(S)-1-(anthracen-9-yl)-2,2,2-trifluoroethanol;(S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol;(1S)-1-anthracen-9-yl-2,2,2-trifluoroethanol;(S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol;(s)-2,2,2-trifluoro-1-(9-anthryl)ethanol;(1S)-1-(anthracen-9-yl)-2,2,2-trifluoroethan-1-ol;C16H11F3O;EINECS 262-348-1;C16-H11-F3-O;1-(9-Anthryl)-2,2,2-trifluoroethanol #;(S)-alpha-(Trifluoromethyl)anthracene-9-methanol;SCHEMBL3075110;ICZHJFWIOPYQCA-HNNXBMFYSA-;MFCD00062968;(S)-(+)-1-(9-anthryl)-2;AKOS027327456;2-ACETOXY-3-METHYL-BUTYRICACID;(S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol [e.e. Determination Reagent by NMR];AS-66603;T1521;(S)-2,2,2-trifluoro-1-(9-anthryl)-ethanol;T72691;A832825;EN300-18536564;(S)-(+)-alpha-(Trifluoromethyl)-9-anthracenemethanol;9-Anthracenemethanol, .alpha.-(trifluoromethyl)-, (S)-;(S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol, >=98%;InChI=1/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H/t15-/m0/s1

Chemical Property of (S)-1-(anthracen-9-yl)-2,2,2-trifluoroethanol

Chemical Property:

• Vapor Pressure: 6.48E-08mmHg at 25°C
• Melting Point: 132-135 °C(lit.)
• Refractive Index: 30.5 ° (C=1, CHCl3)
• Boiling Point: 423.1°C at 760 mmHg
• PKA: 11.91±0.30(Predicted)
• Flash Point: 165.2°C
• PSA: 20.23000
• Density: 1.346g/cm³
• LogP: 4.58870
• Storage Temp.: 2-8°C
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 276.07619946
• Heavy Atom Count: 20
• Complexity: 319

Purity/Quality:

98% ^*data from raw suppliers

(S)-(+)-222-Trifluoro-1-(9-anthryl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(C(F)(F)F)O
• Isomeric SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[C@@H](C(F)(F)F)O
• Uses: (S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol has been used for the NMR spectral determination of optical purity (and in some cases, absolute configuration) of a wide variety of sulfoxides, lactones, amines, sulfinate esters, oxaziridines and allenes.

Technology Process of (S)-1-(anthracen-9-yl)-2,2,2-trifluoroethanol

There total 9 articles about (S)-1-(anthracen-9-yl)-2,2,2-trifluoroethanol 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: 95.0%

1-(9-anthracenyl)-2,2,2-trifluoroethan-1-one (53531-31-0) → (S)-2,2,2-trifluro-1-(anthryl)ethanol (60646-30-2,65487-67-4)

Guidance literature:

With chiral secondary amine based ligand; diisopropylmagnesium; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃;

DOI:10.1021/ol026901p

Reference yield: 80.0%

N,N-bis(2-cyanoethyl)-N',N'-dimethyl-1,2-diaminoethane (67602-77-1) → N,N-bis(3-aminopropyl)-N',N'-dimethyl-1,2-diaminoethane (62787-29-5)

Guidance literature:

With sodium; In ethanol; for 8h; Heating;

Reference yield:

1-(9-anthryl)-2,2,2-trifluoroethanol (60686-64-8,65487-67-4) → (S)-2,2,2-trifluro-1-(anthryl)ethanol (60646-30-2,65487-67-4) + (R)-2,2,2-trifluoro-1-(9-anthryl)ethanol (53531-34-3,65487-67-4)

Guidance literature:

DOI:10.1039/c39950000301

upstream raw materials:

1-(9-anthracenyl)-2,2,2-trifluoroethan-1-one

1-(9-anthryl)-2,2,2-trifluoroethanol

9-Bromoanthracene

propionic acid anhydride

Downstream raw materials:

(1'S,3S,4S)-1-(9-anthryl)-2,2,2-trifluoroethyl-4-benzyl-5-oxo-3-tetrahydrofurancarboxylate