4-Methylpent-2-enal

Base Information

• Chemical Name: 4-Methylpent-2-enal
• CAS No.: 5362-56-1
• Molecular Formula: C6H10 O
• Molecular Weight: 98.1448
• Hs Code.: 2912190090
• European Community (EC) Number: 226-348-5
• NSC Number: 23382
• Nikkaji Number: J1.976.861I
• Wikidata: Q76304812
• Metabolomics Workbench ID: 44742
• Mol file: 5362-56-1.mol

Synonyms:4-Methyl-2-pentene-1-al;4-Methylpent-2-enal;2-Pentenal, 4-methyl-;(Z)-4-Methyl-2-pentenal;NSC23382;(2Z)-4-methylpent-2-enal;FEMA 3510

Chemical Property of 4-Methylpent-2-enal

Chemical Property:

• Vapor Pressure: 9.92mmHg at 25°C
• Melting Point: -78°C (estimate)
• Refractive Index: 1.436-1.444
• Boiling Point: 130°Cat760mmHg
• Flash Point: 33.1°C
• PSA: 17.07000
• Density: 0.825g/cm³
• LogP: 1.39750
• Storage Temp.: Refrigerator (+4°C) + Flammables area
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 72.2

Purity/Quality:

98%min ^*data from raw suppliers

4-METHYL-2-PENTENAL 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C=CC=O
• Isomeric SMILES: CC(C)/C=C\C=O

Technology Process of 4-Methylpent-2-enal

There total 9 articles about 4-Methylpent-2-enal 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:

4-methylpent-2-en-1-ol (5362-55-0) → 4-methylpent-2-enal (5362-56-1)

Guidance literature:

With manganese(IV) oxide; In Petroleum ether;

Reference yield:

4-Methyl-1-pentene (691-37-2,25068-26-2) → 4-methylpent-2-enal (5362-56-1) + isocaproic aldehyde (1119-16-0) + 4-methyl-2-pentanone (108-10-1)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); oxygen; p-benzoquinone; copper(l) chloride; In water; tert-butyl alcohol; at 40 ℃; for 6h; under 760.051 Torr; regioselective reaction;

DOI:10.1002/cctc.202000472

Reference yield:

4-methyl-pent-2-enoic acid (10321-71-8) → 4-methylpent-2-enal (5362-56-1)

Guidance literature:

With lithium aluminium tetrahydride;

upstream raw materials:

3-(N-Methylanilino)-2-propenal

isopropylmagnesium bromide

ethyl 4-methylpent-2-enoate

4-methylpent-2-en-1-ol

Downstream raw materials:

C₂₃H₂₇NO₃S

(S)-1-benzyl-3-hexyl-4-isopropyl-3,4-dihydropyrimidin-2-one

2-((4S,6S)-4-isopropyl-1-methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrano[2,3-c]pyrazol-6-yl)-1-(3-methoxyphenyl)ethanone

S-ethyl (2R,3R)-2-(4-nitrophenyl)-5-oxo-3-isopropylpentanethioate

Refernces

• 1、 Byeon, Huimyoung,Ryu, Sunghyeon,Yoo, Eun Jeong,Yang, Jung Woon. "Substrate-Controlled Chemo-/Enantioselective Synthesis of α-Benzylated Enals and Chiral Cyclopropane-Fused 2-Chromanone Derivatives". supporting information. p. 5085 - 5091. Retrieved 2021/09/20.
• 2、 Zhang, Yichi,Wang, Zhan,Lang, Xianjun. "Merging visible light photocatalysis of dye-sensitized TiO2 with TEMPO: The selective aerobic oxidation of alcohols". . p. 4955 - 4963. Retrieved 2017/11/09.