4-Methoxy-4-methyl-2-pentanone

Base Information

• Chemical Name: 4-Methoxy-4-methyl-2-pentanone
• CAS No.: 107-70-0
• Molecular Formula: C7H14O2
• Molecular Weight: 130.187
• Hs Code.: 2914509090
• European Community (EC) Number: 203-512-4
• ICSC Number: 1098
• NSC Number: 48083
• UN Number: 2293
• UNII: 02RA332R13
• DSSTox Substance ID: DTXSID2025557
• Nikkaji Number: J22.144I
• Wikidata: Q1812479
• Metabolomics Workbench ID: 130640
• ChEMBL ID: CHEMBL3185318
• Mol file: 107-70-0.mol

Synonyms:4-METHOXY-4-METHYL-2-PENTANONE;107-70-0;4-Methoxy-4-methylpentan-2-one;Pentoxone;Pent-Oxone Solvent;2-Pentanone, 4-methoxy-4-methyl-;4-Methyl-4-methoxy-2-pentanone;ME 6 K;NSC 48083;CCRIS 4840;HSDB 1153;EINECS 203-512-4;UN2293;BRN 1747866;DTXSID2025557;UNII-02RA332R13;NSC-48083;02RA332R13;4-01-00-04024 (Beilstein Handbook Reference);ME-6K;SCHEMBL557272;DTXCID805557;CHEMBL3185318;4-Methyoxy-4-methylpentan-2-one;2-pentanona, 4-metoxi-4-metil-;2-Pentanone, 4-methyl-4-methoxy;NSC48083;Tox21_300873;LS-441;MFCD00043932;NA2293;AKOS009158340;UN 2293;NCGC00248197-01;NCGC00254777-01;CAS-107-70-0;WLN: 1OX1 & 1 & 1V1;4-Methoxy-4-methyl-2-pentanone, AldrichCPR;FT-0631600;M0652;EN300-36328;4-METHOXY-4-METHYL-2-PENTANONE [HSDB];Q1812479;W-109394;4-Methoxy-4-methylpentan-2-one [UN2293] [Flammable liquid];4-Methoxy-4-methylpentan-2-one [UN2293] [Flammable liquid]

Chemical Property of 4-Methoxy-4-methyl-2-pentanone

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 2.36mmHg at 25°C
• Refractive Index: 1.405
• Boiling Point: 160.633 °C at 760 mmHg
• Flash Point: 41.335 °C
• PSA: 26.30000
• Density: 0.882 g/cm³
• LogP: 1.39050
• Water Solubility.: Soluble in water
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 106
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98% ^*data from raw suppliers

4-Methoxy-4-methyl-2-pentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Other Solvents
• Canonical SMILES: CC(=O)CC(C)(C)OC
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, respiratory tract and skin. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis.
• Uses: Solvent for a variety of resin coatings.

Technology Process of 4-Methoxy-4-methyl-2-pentanone

There total 9 articles about 4-Methoxy-4-methyl-2-pentanone 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: 92.0%

methanol (67-56-1) + 4-methyl-pent-3-en-2-one (141-79-7) → 4-methoxy-4-methylpentan-2-one (107-70-0)

Guidance literature:

With N,N',N''-tris(p-tolyl)azacalix[3](2,6)(4-pyrrolidinopyridine); In neat liquid; at 50 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jo3017428

Reference yield: 46.0%

4-Hydroxy-4-methyl-2-pentanone (123-42-2) + trimethyl orthoformate (149-73-5) → 4-methyl-pent-3-en-2-one (141-79-7) + 4-methoxy-4-methylpentan-2-one (107-70-0) + C8H18O3 (1128190-24-8)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 0 ℃; for 5h;

DOI:10.1246/cl.2009.96

Reference yield: 32.0%

2-(Trimethylsilyloxy)propene (1833-53-0) + 2,2-dimethoxy-propane (77-76-9) → 4-methoxy-4-methylpentan-2-one (107-70-0)

Guidance literature:

dodecacarbonyltetrarhodium⁽⁰⁾; In benzene; at 100 ℃; for 17h;

DOI:10.1016/S0040-4039(00)96938-7 DOI:10.1016/0022-328X(88)83037-7

upstream raw materials:

methanol

4-methyl-pent-3-en-2-one

bromo-1 dimethyl-2,2 methylenecyclopropane

2,3-dimethyl-buta-1,3-diene

Downstream raw materials:

2,2’-azobis(4-methoxy-2,4-dimethyl)valeronitrile

4-methoxy-4-methyl-pentan-2-ol

(S,Z)-7-bromo-2-methoxy-2-methyl-6-(nitromethyl)-8-phenyloct-7-en-4-one

4-methyl-pent-3-en-2-one

Refernces

• 1、 Murtagh, Julie E.,McCooey, Seamus H.,Connon, Stephen J.. "Novel amine-catalysed hydroalkoxylation reactions of activated alkenes and alkynes". . p. 227 - 229. Retrieved 2005.
• 2、 Zhang, Lanjun,Li, Zenghua,Li, Jinhu,Zhou, Yinbo,Yang, Yongliang,Tang, Yibo,McPhee, Derek J.. "Studies on the low-temp oxidation of coal containing organic sulfur and the corresponding model compounds". . p. 22241 - 22256. Retrieved 2015.
• 3、 Rulev, Alexander Yu.,Azad, Saleha,Kotsuki, Hiyoshizo,Maddaluno, Jacques. "Direct access to cumbersome aminated quaternary centers by hyperbaric aza-Michael additions". experimental part. p. 6423 - 6429. Retrieved 2011/02/24.