4-Benzyloxy-1-butanol

Base Information

• Chemical Name: 4-Benzyloxy-1-butanol
• CAS No.: 4541-14-4
• Molecular Formula: C11H16O2
• Molecular Weight: 180.247
• Hs Code.: 29094980
• European Community (EC) Number: 610-249-2
• DSSTox Substance ID: DTXSID70340167
• Nikkaji Number: J99.563K
• Wikidata: Q72441850
• Mol file: 4541-14-4.mol

Synonyms:4-Benzyloxy-1-butanol;4541-14-4;4-(Benzyloxy)butan-1-ol;4-phenylmethoxybutan-1-ol;4-(Benzyloxy)-1-butanol;1-Butanol, 4-(phenylmethoxy)-;1-Butanol, 4-(benzyloxy)-;MFCD00155211;4-benyloxybutanol;4-benzyloxybutanol;Tetramethylene glycol monobenzyl ether;4-benzyloxybutan-1-ol;4-benzyloxybutyl alcohol;4-benzyloxy-butan-1-ol;SCHEMBL96049;4-(Benzyloxy)-1-butanol #;4-(phenylmethoxy)butane-1-ol;4-Benzyloxy-1-butanol, 97%;4-benzyloxy-1-butanol, 96 %;DTXSID70340167;AKOS015891297;DS-17446;SY235889;CS-0138271;FT-0660764;EN300-105617;A872390

Chemical Property of 4-Benzyloxy-1-butanol

Chemical Property:

• Vapor Pressure: 0.00183mmHg at 25°C
• Refractive Index: n20/D 1.513(lit.)
• Boiling Point: 280.2 °C at 760 mmHg
• PKA: 15.07±0.10(Predicted)
• Flash Point: 113.6 °C
• PSA: 29.46000
• Density: 1.026 g/cm³
• LogP: 1.97570
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 109

Purity/Quality:

90.0%Min ^*data from raw suppliers

4-Benzyloxy-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COCCCCO
• Uses: 4-Benzyloxy-1-butanol may be used for the preparation of ethyl 6-benzyloxy-2-hexenoate, via Swern oxidation and Wadsworth-Emmons olefination. It may be used as starting reagent for the synthesis of 4-(benzyloxy)butanal.

Technology Process of 4-Benzyloxy-1-butanol

There total 51 articles about 4-Benzyloxy-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: 100.0%

((4-(allyloxy)butoxy)methyl)benzene → 4-benzyloxy-butan-1-ol (4541-14-4)

Guidance literature:

With 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; at 20 ℃; for 1h;

DOI:10.1055/s-2007-992352

Reference yield: 100.0%

C16H24O2 (1009630-74-3) → 4-benzyloxy-butan-1-ol (4541-14-4)

Guidance literature:

With 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; at 80 - 110 ℃; for 24h;

DOI:10.1055/s-2007-992352

Reference yield: 99.0%

[4-(benzyloxy)butoxy](tert-butyl)dimethylsilane (105966-46-9) → 4-benzyloxy-butan-1-ol (4541-14-4)

Guidance literature:

With tris-(4-bromophenyl)aminium hexachloroantimonate; In methanol; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2008.03.149

upstream raw materials:

ethyl 4-[(phenylmethyl)oxy]butanoate

Butane-1,4-diol

benzyl chloride

2-benzyloxy-tetrahydro-furan

Downstream raw materials:

4-(benzyloxy)butyl methanesulfonate

4-(benzyloxy)butyl 4-methylbenzene-1-sulfonate

Butane-1,4-diol

2-[4-(benzyloxy)butoxy]tetrahydro-2H-pyran

Refernces

• 1、 Moreau, Benoit,Ginisty, Maryon,Alberico, Dino,Charette, Andre B.. "Expedient stereoselective synthesis of coronafacic acid through intramolecular Diels-Alder cyclization". . p. 1235 - 1240. Retrieved 2007.
• 2、 -. "Composition for controlling pine wood nematode containing benzyloxyalcohol". Paragraph 0055-0056. . Retrieved 2021/06/15.
• 3、 Gao, Ziwei,Gou, Jing,Hao, Zhe,Hou, Jing,Li, Chaoqun,Li, Gaoqiang,Xing, Qingzhao,Yu, Binxun. "Manganese=Catalyzed Achmatowicz Rearrangement Using Green Oxidant H2O2". . p. 9563 - 9586. Retrieved 2021/07/20.