2-Butanone, 4-methoxy-

Base Information

• Chemical Name: 2-Butanone, 4-methoxy-
• CAS No.: 6975-85-5
• Molecular Formula: C5H10 O2
• Molecular Weight: 102.133
• Hs Code.: 2914509090
• European Community (EC) Number: 620-150-6
• NSC Number: 20545
• DSSTox Substance ID: DTXSID60220045
• Nikkaji Number: J147.220H
• Wikidata: Q72489406
• Mol file: 6975-85-5.mol

Synonyms:4-methoxybutan-2-one;6975-85-5;4-Methoxy-2-butanone;2-Butanone, 4-methoxy-;1-methoxybutan-3-one;4-methoxy-butan-2-one;NSC20545;4-methoxy-2 -butanone;4-Methoxy-2-butanone #;SCHEMBL268362;methyl beta-methoxyethyl ketone;DTXSID60220045;4-Methoxybutan-2-one, AldrichCPR;MFCD08704277;NSC 20545;NSC-20545;AKOS009231925;BS-12717;CS-0250048;EN300-49430;A866757;J-515630;Z362119682;InChI=1/C5H10O2/c1-5(6)3-4-7-2/h3-4H2,1-2H

Chemical Property of 2-Butanone, 4-methoxy-

Chemical Property:

• Vapor Pressure: 11.4mmHg at 25°C
• Boiling Point: 126.9°C at 760 mmHg
• Flash Point: 25.5°C
• PSA: 26.30000
• Density: 0.891g/cm³
• LogP: 0.61190
• Storage Temp.: 2-8°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 59.1

Purity/Quality:

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

4-methoxybutan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCOC

Technology Process of 2-Butanone, 4-methoxy-

There total 7 articles about 2-Butanone, 4-methoxy- 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: 56.0%

2-methoxy-3,4-dihydro-2H-pyran (4454-05-1) + 3-methoxy-2-butenol (67935-23-3,90036-84-3) → cis- and trans-2,6-Dimethoxytetrahydropyran (6581-57-3) + 1-methoxybutan-3-one (6975-85-5) + 4-(2,6-dimethoxytetrahydropyran-3-yl)butan-2-one (112698-08-5)

Guidance literature:

With boron trifluoride diethyl etherate; In nitromethane; at -20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)95506-0

Reference yield:

2,3-dihydro-2H-furan (1191-99-7,75454-45-4) + 3-methoxy-2-butenol (67935-23-3,90036-84-3) → 2-methoxytetrahydrofuran (13436-45-8) + 1-methoxybutan-3-one (6975-85-5) + cis-4-(Tetrahydro-2-methoxy-3-furanyl)-2-butanon (91222-95-6,91222-96-7) + trans-4-(Tetrahydro-2-methoxy-3-furanyl)-2-butanon (91222-95-6,91222-96-7)

Guidance literature:

With boron trifluoride diethyl etherate; In nitromethane; at -20 ℃; for 1h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)95506-0

Reference yield:

butyl methyl ether (628-28-4) → Methyl formate (107-31-3) + butanoic acid methyl ester (623-42-7) + 1-methoxybutan-3-one (6975-85-5) + n-butyl formate (592-84-7) + propionaldehyde (123-38-6) + butyraldehyde (123-72-8)

Guidance literature:

With air; methyl nitrite; nitrogen(II) oxide; at 24.85 ℃; under 740 Torr; Product distribution; Irradiation;

DOI:10.1002/(SICI)1097-4601(1999)31:7<501::AID-KIN5>3.0.CO;2-H

upstream raw materials:

2,3-dihydro-2H-furan

3-methoxy-2-butenol

3,4-dihydro-2H-pyran

2-methoxy-3,4-dihydro-2H-pyran

Downstream raw materials:

4-Formyloxy-2-butanone

C₆H₄NCH₂CHCCH₂

methyl vinyl ketone

1-acetoxybutan-3-one

Refernces

• 1、 Maggiotti,Bahmanyar,Reiter,Resmini,Houk,Gouverneur. "Unusual reversal of regioselectivity in antibody-mediated aldol additions with unsymmetrical methyl ketones". . p. 619 - 632. Retrieved 2007/10/03.
• 2、 Poirier, Jean-Marie,Dujardin, Gilles. "REACTION DES VINYLOGUES D'HEMIACETALS ET DE LEURS EQUIVALENTS SYNTHETIQUES SUR LES ETHERS D'ENOLS HETEROCYCLIQUES". . p. 3337 - 3340. Retrieved 2007/10/02.