1-Methylcyclobutane-1-carbaldehyde

Base Information

• Chemical Name: 1-Methylcyclobutane-1-carbaldehyde
• CAS No.: 65338-30-9
• Molecular Formula: C6H10O
• Molecular Weight: 98.1448
• European Community (EC) Number: 818-301-8
• DSSTox Substance ID: DTXSID80602824
• Wikidata: Q82500011
• Mol file: 65338-30-9.mol

Synonyms:1-methylcyclobutane-1-carbaldehyde;65338-30-9;1-methylcyclobutanecarbaldehyde;1-methylcyclobutanecarboxaldehyde;Cyclobutanecarboxaldehyde, 1-methyl-;DTXSID80602824;NCJXPECBGWEDFS-UHFFFAOYSA-N;MFCD18533416;AKOS006373722;AB92345;DA-29144;CS-0230470;EN300-104109;Z1198728427

Chemical Property of 1-Methylcyclobutane-1-carbaldehyde

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 82.2

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC1)C=O

Technology Process of 1-Methylcyclobutane-1-carbaldehyde

There total 1 articles about 1-Methylcyclobutane-1-carbaldehyde 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:

methylidenecyclobutane (1120-56-5) + carbon monoxide (201230-82-2) → 1-methylcyclobutane-1-carbaldehyde (65338-30-9) + 2-cyclobutylacetaldehyde (6540-31-4)

Guidance literature:

With 2,2',2'',2'''-(1,2-phenylenebis((1S,3S)-tetrahydro-5,8-dioxo-1H-(1,2,4)diazaphospholo(1,2-a)pyridazine-2,1,3(3H)-triyl))tetrakis(N-(1S)-1-phenylethyl)-benzamide; (acetylacetonato)dicarbonylrhodium (l); hydrogen; In tetrahydrofuran; for 24h; under 7757.43 Torr; Heating;

DOI:10.1021/acs.joc.8b01431

Reference yield: 74.0%

1-methylcyclobutane-1-carbaldehyde (65338-30-9) + 4-methyl-N,N-diprop-2-ynylbenzenesulfonamide (18773-54-1) → N-{4-hydroxy-4-(1-methylcyclobutyl)-2-butynyl}-N-(2-propynyl)-4-methylbenzenesulfonamide (1333467-13-2)

Guidance literature:

4-methyl-N,N-diprop-2-ynylbenzenesulfonamide; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

1-methylcyclobutane-1-carbaldehyde; In tetrahydrofuran; at -78 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1002/chem.201101441

Reference yield: 73.0%

1-methylcyclobutane-1-carbaldehyde (65338-30-9) + C19H16O4S2 (218273-62-2) → 1-(1-methylcyclobutyl)-5,5-bis(phenylsulfonyl)-2,7-octadiyn-1-ol (1333467-24-5)

Guidance literature:

C₁₉H₁₆O₄S₂; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

1-methylcyclobutane-1-carbaldehyde; In tetrahydrofuran; at -78 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1002/chem.201101441

upstream raw materials:

methylidenecyclobutane

carbon monoxide

Downstream raw materials:

N-(2-heptynyl)-N-{4-hydroxy-4-(1-methylcyclobutyl)-2-butynyl}-4-methylbenzenesulfonamide

1-(1-methylcyclobutyl)-5,5-bis(phenylsulfonyl)-2,7-octadiyn-1-ol

N-{4-(1-methylcyclobutyl)-2-phenylsulfonyl-2,3-butadienyl}-N-(2-propynyl)-4-methylbenzenesulfonamide

N-(2-heptynyl)-N-{4-(1-methylcyclobutyl)-2-phenylsulfonyl-2,3-butadienyl}-4-methylbenzenesulfonamide