1-Phenyl-2-propanol

Base Information

• Chemical Name: 1-Phenyl-2-propanol
• CAS No.: 698-87-3
• Deprecated CAS: 14898-87-4
• Molecular Formula: C9H12 O
• Molecular Weight: 136.194
• Hs Code.: 29062990
• European Community (EC) Number: 211-821-0,691-119-2
• NSC Number: 53553
• UNII: 300Y7TB8EY
• DSSTox Substance ID: DTXSID70862379
• Nikkaji Number: J69.579C
• Wikidata: Q27255889
• Mol file: 698-87-3.mol

Synonyms:1-phenyl-2-propanol;alpha-methylbenzeneethanol

Chemical Property of 1-Phenyl-2-propanol

Chemical Property:

• Melting Point: 135-136℃
• Refractive Index: n20/D 1.522(lit.)
• Boiling Point: 213 °C
• PKA: 15.24±0.20(Predicted)
• Flash Point: 85 °C
• PSA: 20.23000
• Density: 0.99
• LogP: 1.60990
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 84.7

Purity/Quality:

99.5% ^*data from raw suppliers

Methylbenzeneethanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CC(CC1=CC=CC=C1)O
• Uses: Methylbenzeneethanol is a chemical reagent used towards the synthesis of ruthenium nanoparticles supported on graphene. 1-Phenyl-2-propanol was used in bioreduction of 1-phenyl-2-propanone using Rhodococcus erythropolis JX-021.

Technology Process of 1-Phenyl-2-propanol

There total 174 articles about 1-Phenyl-2-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: 100.0%

1-phenyl-acetone (103-79-7,136675-26-8) → 3-phenyl-2-propanol (698-87-3,14898-87-4)

Guidance literature:

With diethoxymethylane; cesium fluoride; at 25 ℃; for 5h;

DOI:10.1016/S0040-4020(01)88599-9

Reference yield: 98.0%

1,2-epoxy-3-phenylpropane (4436-24-2) → 3-phenyl-2-propanol (698-87-3,14898-87-4)

Guidance literature:

With sodium tetrahydroborate; alpha cyclodextrin; In water; for 24h; Product distribution; Ambient temperature; presence of β-, and γ-cyclodextrin; kinetic resolution; further epoxides;

DOI:10.1246/bcsj.64.1884

Reference yield: 95.0%

1-phenylpropylene oxide (23355-97-7) → 3-phenyl-2-propanol (698-87-3,14898-87-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h; under 760.051 Torr; regioselective reaction;

DOI:10.1002/ejoc.200800992

upstream raw materials:

2-hydroxy-1-phenylpropylamine

methyl magnesium iodide

2-iodo-1-phenylethan-1-ol

2-iodo-2-phenylethanol

Downstream raw materials:

(R)-1-phenyl-propan-2-ol

trimethyl[(1-phenylpropan-2-yl)oxy]silane

1-phenyl-2-chloropropane

(2-bromopropyl)-benzene

Refernces

• 1、 Bartling, Stephan,Chakrabortty, Soumyadeep,De Vries, Johannes G.,Kamer, Paul C. J.,Lund, Henrik,Müller, Bernd H.,Rockstroh, Nils. "The solvent determines the product in the hydrogenation of aromatic ketones using unligated RhCl3as catalyst precursor". . p. 7608 - 7616. Retrieved 2021/12/13.
• 2、 Weber, Stefan,Iebed, Dina,Glatz, Mathias,Kirchner, Karl. "Reduction of carbonyl compounds via hydrosilylation catalyzed by well-defined PNP-Mn(I) hydride complexes". . p. 635 - 639. Retrieved 2021/06/17.