1-Cyclopropyl-1-phenylethanol

Base Information

• Chemical Name: 1-Cyclopropyl-1-phenylethanol
• CAS No.: 5558-04-3
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 2906299090
• European Community (EC) Number: 226-923-0
• NSC Number: 77105
• Nikkaji Number: J225.016K
• Mol file: 5558-04-3.mol

Synonyms:1-cyclopropyl-1-phenylethanol;5558-04-3;1-cyclopropyl-1-phenylethan-1-ol;alpha-Cyclopropyl-alpha-methylbenzyl alcohol;NSC77105;Methylcyclopropylphenylcarbinol;1-cyclopropyl-1-phenyl-ethanol;1-Phenyl-1-cyclopropyl ethanol;SCHEMBL10306736;AMY19392;EINECS 226-923-0;MFCD00019243;NSC 77105;NSC-77105;AKOS009159357;DS-11802;CS-0154092;FT-0602732;I11273

Chemical Property of 1-Cyclopropyl-1-phenylethanol

Chemical Property:

• Vapor Pressure: 0.00524mmHg at 25°C
• Refractive Index: 1.58
• Boiling Point: 263.2 °C at 760 mmHg
• Flash Point: 115.5 °C
• PSA: 20.23000
• Density: 1.108g/cm³
• LogP: 2.30410
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

98%min ^*data from raw suppliers

1-Cyclopropyl-1-phenylethanol 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CC1)(C2=CC=CC=C2)O

Technology Process of 1-Cyclopropyl-1-phenylethanol

There total 17 articles about 1-Cyclopropyl-1-phenylethanol 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: 99.0%

cyclopropyl phenyl ketone (3481-02-5) + methyllithium (917-54-4) → 1-cyclopropyl-1-phenylethanol (5558-04-3)

Guidance literature:

With bis(acetylacetonate)nickel(II); In tetrahydrofuran; at 0 ℃;

DOI:10.1246/cl.1997.1149

Reference yield: 96.0%

cyclopropyl phenyl ketone (3481-02-5) + [3-(dimethylamino)propyl]dimethyl aluminium(III) → 1-cyclopropyl-1-phenylethanol (5558-04-3)

Guidance literature:

In toluene; at 80 ℃; for 1h;

DOI:10.1055/s-1996-4334

Reference yield: 93.0%

Cyclopropyl methyl ketone (765-43-5) + phenylmagnesium bromide (100-58-3) → 1-cyclopropyl-1-phenylethanol (5558-04-3)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 20 ℃; for 3h;

DOI:10.1002/chem.201303915

upstream raw materials:

methyl magnesium iodide

cyclopropyl phenyl ketone

Cyclopropyl methyl ketone

methyllithium

Downstream raw materials:

(E)-(5-bromopent-2-en-2-yl)benzene

4-phenyl-3-penten-1-yl iodide

cis-5-fluoro-2-phenyl-2-pentene

trans-5-fluoro-2-phenyl-2-pentene

Refernces

• 1、 Harada, Shinji,Matsuda, Daiki,Morikawa, Takahiro,Nishida, Atsushi. "Direct Synthesis of Enones by Visible-Light-Promoted Oxygenation of Trisubstituted Olefins Using Molecular Oxygen". . p. 1372 - 1377. Retrieved 2020/10/02.
• 2、 Bernasconi, Maurizio,Ramella, Vincenzo,Tosatti, Paolo,Pfaltz, Andreas. "Iridium-catalyzed asymmetric hydrogenation of 3,3-disubstituted allylic alcohols in ethereal solvents". supporting information. p. 2440 - 2444. Retrieved 2014/03/21.