2-Phenyl-1-butanol

Base Information

• Chemical Name: 2-Phenyl-1-butanol
• CAS No.: 2035-94-1
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 29062900
• European Community (EC) Number: 218-003-2
• NSC Number: 67390,18742
• DSSTox Substance ID: DTXSID901034023
• Nikkaji Number: J80.363D
• Mol file: 2035-94-1.mol

Synonyms:2-phenylbutan-1-ol;2-Phenyl-1-butanol;2035-94-1;Benzeneethanol, beta-ethyl-;2-Phenylbutane-1-ol;(+/-)-2-Phenylbutanol;.beta.-Ethylphenethyl alcohol;Benzeneethanol, .beta.-ethyl-;EINECS 218-003-2;AI3-11554;NSC67390;2-phenyl-butan-1-ol;1-Butanol, 2-phenyl;Benzeneethanol,b-ethyl-;2-Phenyl-1-butanol #;beta-Ethylphenethyl alcohol;beta -Ethylphenethyl alcohol;SCHEMBL502935;D,L-beta-Ethylphenethyl alcohol;beta-Ethylphenethyl alcohol, 98%;DTXSID901034023;NSC18742;MFCD00004742;NSC 18742;NSC 67390;NSC-18742;NSC-67390;AKOS009156833;SB45672;89104-46-1;CS-0258424;FT-0647412;EN300-70110;J-013240;Z397587442

Chemical Property of 2-Phenyl-1-butanol

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.0283mmHg at 25°C
• Refractive Index: n20/D 1.519(lit.)
• Boiling Point: 235 °C at 760 mmHg
• Flash Point: 83.5 °C
• PSA: 20.23000
• Density: 0.978 g/cm³
• LogP: 2.17250
• XLogP3: 2.2
• 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

(±)-2-Phenylbutanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CO)C1=CC=CC=C1
• Uses: (±)-2-Phenylbutanol is used as a reagent in the synthesis of carbamate derivatives of Felbamate (F231000), as potential anticonvulsant agents. (±)-2-Phenylbutanol is also used to prepare analogs of O-(2-phenylethyl)-N-phenylthiocarbamate which can serve as non-nucleoside HIV-1 reverse transcriptase inhibitors.

Technology Process of 2-Phenyl-1-butanol

There total 40 articles about 2-Phenyl-1-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: 97.0%

2-phenyl-1,2-epoxybutane (2245-25-2) → 2-phenylbutan-1-ol (2035-94-1,89104-46-1)

Guidance literature:

With 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; magnesium bis(trifluoromethane solfonyl)imide; In tetrahydrofuran; at 40 ℃; for 24h; regioselective reaction;

DOI:10.1021/jacs.0c05917

Reference yield: 95.0%

styrene oxide (96-09-3) + sodium tetraethylaluminate (2397-68-4) → 2-phenylbutan-1-ol (2035-94-1,89104-46-1)

Guidance literature:

In pentane; at 35 ℃; for 4h;

DOI:10.1016/0040-4020(80)88033-1

Reference yield: 81.0%

(2RS)-2-phenylbutanal (2439-43-2) → 2-phenylbutan-1-ol (2035-94-1,89104-46-1)

Guidance literature:

With isopropyl alcohol; zirconium(IV) oxide; for 6h; Heating;

DOI:10.1246/bcsj.61.3283

upstream raw materials:

1-(2-phenyl-butyryl)-piperidine

2-phenylbutyramide

2-Phenylbutyric acid

ethyl 2-phenylbutanoate

Downstream raw materials:

Methyl-phosphonic acid (S)-2-phenyl-butyl ester (R)-2-phenyl-butyl ester

Methyl-phosphonic acid bis-((R)-2-phenyl-butyl) ester

(S)-2-phenylbutan-1-ol

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

Refernces

• 1、 Ahlquist, M?rten S. G.,Andersson, Pher G.,Eriksson, Lars,Krajangsri, Suppachai,Massaro, Luca,Ponra, Sudipta,Silvi, Emanuele,Singh, Thishana,Su, Hao,Yang, Jianping. "Combined Theoretical and Experimental Studies Unravel Multiple Pathways to Convergent Asymmetric Hydrogenation of Enamides". supporting information. p. 21594 - 21603. Retrieved 2021/12/27.
• 2、 Franke, Robert,Geng, Hui-Qing,Meyer, Tim,Wu, Xiao-Feng. "Copper-catalyzed hydroformylation and hydroxymethylation of styrenes". . p. 14937 - 14943. Retrieved 2021/12/02.