4-Benzyloxy-2-butanone

Base Information

• Chemical Name: 4-Benzyloxy-2-butanone
• CAS No.: 6278-91-7
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• European Community (EC) Number: 629-018-2
• NSC Number: 34503
• DSSTox Substance ID: DTXSID50283962
• Nikkaji Number: J308.070F
• Wikidata: Q82018728
• Mol file: 6278-91-7.mol

Synonyms:4-Benzyloxy-2-butanone;6278-91-7;4-(benzyloxy)butan-2-one;4-phenylmethoxybutan-2-one;2-Butanone, 4-(phenylmethoxy)-;NSC34503;4-(benzyloxy)-2-butanone;4-phenylmethoxy-2-butanone;4-(benzyloxy) butan-2-one;SCHEMBL711863;DTXSID50283962;MFCD00042852;NSC 34503;NSC-34503;4-Benzyloxy-2-butanone, >=97.0%;AKOS009158872;AT15541;BS-23207;CS-0204232;FT-0655442;EN300-200965;A833995

Chemical Property of 4-Benzyloxy-2-butanone

Chemical Property:

• Vapor Pressure: 0.00631mmHg at 25°C
• Refractive Index: n20/D 1.505
• Boiling Point: 271.8 °C at 760 mmHg
• Flash Point: 112.4 °C
• PSA: 26.30000
• Density: 1.016 g/cm³
• LogP: 2.18230
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

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

4-Benzyloxy-2-butanone ≥97.0% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)CCOCC1=CC=CC=C1
• Uses: 4-Benzyloxy-2-butanone was used in the synthesis of 4-benzyloxy-2-butanol.

Technology Process of 4-Benzyloxy-2-butanone

There total 32 articles about 4-Benzyloxy-2-butanone 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%

4-benzyloxy-2-butanol (4799-69-3) → 4-(benzyloxy)-2-butanone (6278-91-7)

Guidance literature:

With palladium diacetate; oxygen; triethylamine; In tetrahydrofuran; toluene; at 20 ℃; for 14h;

DOI:10.1021/jo0482211

Reference yield: 96.0%

methyl vinyl ketone (78-94-4,25038-87-3) + benzyl alcohol (100-51-6,185532-71-2) → 4-(benzyloxy)-2-butanone (6278-91-7)

Guidance literature:

dichloro bis(acetonitrile) palladium(II); In dichloromethane; for 20h; Ambient temperature;

Reference yield: 95.0%

(3,3-Diethoxy-butoxymethyl)-benzene → 4-(benzyloxy)-2-butanone (6278-91-7)

Guidance literature:

With water; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In ethyl acetate; at 20 - 25 ℃; for 1.5h;

DOI:10.1246/cl.1993.165

upstream raw materials:

4-benzyloxy-2-butanol

methyl vinyl ketone

benzyl alcohol

4-chloro-2-butanone

Downstream raw materials:

(+/-)-5-Benzyloxy-3-methyl-penten-⁽¹⁾-ol-⁽³⁾

4-benzyloxy-2-butanol

Ethyl 5-(benzyloxy)-3-hydroxy-3-methylpentanoate

diethyl 3-benzyloxy-1-amino-1-methylpropylphosphonate

Refernces

• 1、 Lu, Dongpo,Lu, Peng,Lu, Zhan. "Cobalt-Catalyzed Asymmetric 1,4-Reduction of β,β-Dialkyl α,β-Unsaturated Esters with PMHS". supporting information. p. 4861 - 4864. Retrieved 2021/09/22.
• 2、 Xia, Aiyou,Xie, Xin,Hu, Xiaoping,Xu, Wei,Liu, Yuanhong. "Dehalogenative Deuteration of Unactivated Alkyl Halides Using D2O as the Deuterium Source". . p. 13841 - 13857. Retrieved 2019/10/17.