(S)-(-)-2-Methyl-1-phenyl-1-propanol

Base Information

• Chemical Name: (S)-(-)-2-Methyl-1-phenyl-1-propanol
• CAS No.: 34857-28-8
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 29062990
• European Community (EC) Number: 849-070-1
• DSSTox Substance ID: DTXSID80416069
• Nikkaji Number: J56.765E
• Wikidata: Q82225216
• ChEMBL ID: CHEMBL357301
• Mol file: 34857-28-8.mol

Synonyms:34857-28-8;(S)-(-)-2-Methyl-1-phenyl-1-propanol;(1S)-2-methyl-1-phenylpropan-1-ol;(S)-2-methyl-1-phenylpropan-1-ol;(S)-2-methyl-1-phenyl-1-propanol;(R)-(+)-2-Methyl-1-phenyl-1-propanol;Benzenemethanol, a-(1-methylethyl)-, (aS)-;CHEMBL357301;SCHEMBL2736710;DTXSID80416069;(S)-alpha-Isopropylbenzyl alcohol;GMDYDZMQHRTHJA-JTQLQIEISA-N;MFCD00064261;AKOS006275692;(-)-(s)-2-methyl-1-phenyl-1-propanol;E89217;EN300-6769132

Chemical Property of (S)-(-)-2-Methyl-1-phenyl-1-propanol

Chemical Property:

• Vapor Pressure: 0.0678mmHg at 25°C
• Refractive Index: 1.517
• Boiling Point: 219.8°Cat760mmHg
• PKA: 14.29±0.20(Predicted)
• Flash Point: 86.7°C
• PSA: 20.23000
• Density: 0.976g/cm³
• LogP: 2.37600
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 103

Purity/Quality:

98% or more ^*data from raw suppliers

(S)-(-)-2-Methyl-1-phenyl-1-propanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: R22:Harmful if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C1=CC=CC=C1)O
• Isomeric SMILES: CC(C)[C@@H](C1=CC=CC=C1)O

Technology Process of (S)-(-)-2-Methyl-1-phenyl-1-propanol

There total 63 articles about (S)-(-)-2-Methyl-1-phenyl-1-propanol 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: 98.0%

phenyl isopropyl ketone (611-70-1) → (S)-2-methyl-1-phenylpropan-1-ol (34857-28-8)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; C₅₃H₇₃FeN₂O₂PS; hydrogen; lithium tert-butoxide; In isopropyl alcohol; at 60 ℃; for 12h; under 22801.5 Torr; enantioselective reaction; Autoclave;

DOI:10.1021/acs.joc.8b01276

Reference yield: 94.0%

phenyl isopropyl ketone (611-70-1) → (R)-2-methyl-1-phenylpropan-1-ol (14898-86-3) + (S)-2-methyl-1-phenylpropan-1-ol (34857-28-8)

Guidance literature:

With trans-[OsCl₂(py){2,6-bis[4’-(S)-isopropyloxazolin-2-yl]pyridine}]; caesium carbonate; In isopropyl alcohol; at 82 ℃; for 6h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.mcat.2018.07.002

Reference yield: 94.0%

isopropylmagnesium chloride (1068-55-9) + benzaldehyde (100-52-7) → (S)-2-methyl-1-phenylpropan-1-ol (34857-28-8)

Guidance literature:

isopropylmagnesium chloride; With sodium methylate; zinc(II) chloride; In diethyl ether; at 0 - 20 ℃; Inert atmosphere;

benzaldehyde; With (S)-N-(3-methyl-1-(1-pyrrolidin-1-yl)butan-2-yl) diphenylphosphinic amideamine; at 20 ℃; optical yield given as %ee; enantioselective reaction; Inert atmosphere; Neat (no solvent);

DOI:10.1039/c0cc01301c

upstream raw materials:

(2-methyl-1-propenyl)-benzene

diethylzinc

benzaldehyde

isopropylmagnesium bromide

Downstream raw materials:

(R)-Fluoro-phenyl-acetic acid (S)-2-methyl-1-phenyl-propyl ester

(R)-(4-Chloro-phenyl)-fluoro-acetic acid (S)-2-methyl-1-phenyl-propyl ester

C₄₂H₅₂O₄P₂

(1S,4R,8S)-8-(2-Methyl-1-phenyl-propoxy)-4-(toluene-4-sulfonyl)-2-oxa-bicyclo[2.2.2]oct-5-en-3-one