1-Phenyl-2-butanol

Base Information

• Chemical Name: 1-Phenyl-2-butanol
• CAS No.: 701-70-2
• Deprecated CAS: 120055-09-6
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• European Community (EC) Number: 211-858-2
• NSC Number: 406921,11004
• UNII: 64NV7Q9G7L
• DSSTox Substance ID: DTXSID80862380
• Nikkaji Number: J193.066D
• Mol file: 701-70-2.mol

Synonyms:1-Phenylbutan-2-ol;1-Phenyl-2-butanol;701-70-2;Benzyl ethyl carbinol;2-Butanol, 1-phenyl-;Benzeneethanol, .alpha.-ethyl-;Phenethyl alcohol, .alpha.-ethyl-;alpha-Ethylphenethyl alcohol;NSC 11004;Benzeneethanol, alpha-ethyl-;64NV7Q9G7L;(+/-)-alpha-ethylphenethyl alcohol;EINECS 211-858-2;NSC-11004;NSC 406921;NSC-406921;AI3-11510;120055-09-6;1-phenyl-butan-2-ol;Benzeneethanol, ?-ethyl-;Aceticformicanhydride;a-Ethylphenethyl alcohol;C(C(O)CC)c1ccccc1;.alpha.-Ethylbenzeneethanol;UNII-64NV7Q9G7L;alpha -Ethylphenethyl alcohol;SCHEMBL108351;.alpha.-Ethylphenethyl alcohol;(+/-)-1-Phenyl-2-butanol;Phenethyl alcohol, alpha-ethyl-;DTXSID80862380;alpha-Ethylphenethyl alcohol, 97%;NSC11004;NSC406921;AKOS009159406;AS-76060;CS-0152604;FT-0647414;EN300-85451;D94692;Z513749284

Chemical Property of 1-Phenyl-2-butanol

Chemical Property:

• Vapor Pressure: 0.0459mmHg at 25°C
• Refractive Index: n20/D 1.516(lit.)
• Boiling Point: 124-127 °C25 mm Hg(lit.)
• PKA: 15.24±0.20(Predicted)
• Flash Point: 212 °F
• PSA: 20.23000
• Density: 0.989 g/mL at 25 °C(lit.)
• LogP: 2.00000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 95

Purity/Quality:

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

α-Ethylphenethyl alcohol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC1=CC=CC=C1)O
• Uses: 1-PHENYL-2-BUTANOL may be used in chemical synthesis. α-Ethylphenethyl alcohol may be used in chemical synthesis.

Technology Process of 1-Phenyl-2-butanol

There total 68 articles about 1-Phenyl-2-butanol 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: 93.0%

2-ethyl-3-phenyloxirane (33669-38-4) → 1-phenyl-2-butanol (701-70-2)

Guidance literature:

With cobalt(II) bis[bis((trifluoromethyl)sulfonyl)amide]; hydrogen; zinc trifluoromethanesulfonate; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine]; In tetrahydrofuran; at 80 ℃; for 16h; under 30003 Torr; regioselective reaction; Autoclave;

DOI:10.1002/anie.202002844

Reference yield: 93.0%

benzyl ethyl ketone (1007-32-5) → 1-phenyl-2-butanol (701-70-2)

Guidance literature:

With formic acid; sodium formate; (η⁵-C4Ph4COHOC4Ph4-η⁵)(μ-H)(CO)4Ru2; In water; at 100 ℃; for 6.6h;

DOI:10.1016/0022-328X(95)05995-2

Reference yield: 87.0%

phenylmagnesium bromide (1589-82-8) + propionaldehyde (123-38-6) → 1-phenyl-2-butanol (701-70-2) + (R)-2-phenyl-2-pentanol (52992-90-2)

Guidance literature:

With (5aS,10aS)-(-)-Octahydro-5H,10H-dipyrrolo<1,2-a:1',2'-d>pyrazin; In tetrahydrofuran; toluene; at -100 ℃; for 5h; Yields of byproduct given. Title compound not separated from byproducts;

upstream raw materials:

benzyl ethyl ketone

ethylmagnesium bromide

phenylacetaldehyde

propionaldehyde

Downstream raw materials:

triethyl((1-phenylbutan-2-yl)oxy)silane

Thiobenzoesaeure-O-1-benzyl-propylester

3-Hydroxy-1,2-diphenylpentan-1-thion

(2R)-1-phenylbutan-2-ol

Refernces

• 1、 Hamdan, Samir M.,Musa, Musa M.,Nafiu, Sodiq A.,Takahashi, Etsuko,Takahashi, Masateru. "Deracemization and Stereoinversion of Alcohols Using Two Mutants of Secondary Alcohol Dehydrogenase from Thermoanaerobacter pseudoethanolicus". . . Retrieved 2020/07/24.
• 2、 Magre, Marc,Paffenholz, Eva,Maity, Bholanath,Cavallo, Luigi,Rueping, Magnus. "Regiodivergent Hydroborative Ring Opening of Epoxides via Selective C-O Bond Activation". supporting information. p. 14286 - 14294. Retrieved 2020/09/15.