3-Methylenecyclobutanecarbonyl chloride

Base Information

• Chemical Name: 3-Methylenecyclobutanecarbonyl chloride
• CAS No.: 98198-78-8
• Molecular Formula: C6H7 Cl O
• Molecular Weight: 130.574
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID90550327
• Wikidata: Q82429609
• Mol file: 98198-78-8.mol

Synonyms:3-Methylenecyclobutanecarbonyl chloride;98198-78-8;3-methylidenecyclobutane-1-carbonyl chloride;Cyclobutanecarbonylchloride, 3-methylene-;SCHEMBL1745352;DTXSID90550327;DCQFBXFATWSKAA-UHFFFAOYSA-N;3-fluro-4-nitro-benzensulfonyl chloride;3-methylene-cyclobutanecarbonyl chloride

Chemical Property of 3-Methylenecyclobutanecarbonyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 1.71800
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 130.0185425
• Heavy Atom Count: 8
• Complexity: 132

Purity/Quality:

99%min. ^*data from raw suppliers

3-Methylenecyclobutanecarbonyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C1CC(C1)C(=O)Cl

Technology Process of 3-Methylenecyclobutanecarbonyl chloride

There total 1 articles about 3-Methylenecyclobutanecarbonyl chloride 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:

3-methylenecyclobutanecarbonitrile (15760-35-7) → 3-methylenecyclobutanecarboxylic acid chloride (98198-78-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NaOH

2: SOCl₂

With sodium hydroxide; thionyl chloride;

DOI:10.1021/ja01520a033

Reference yield:

3-methylenecyclobutanecarboxylic acid chloride (98198-78-8) → methylidenecyclobutane (1120-56-5)

Guidance literature:

With tri-n-butyl-tin hydride; 2-mercaptopyridine-1-oxide sodium salt; dmap; In various solvent(s); at 65 ℃; for 2h; Irradiation;

DOI:10.1021/jo00015a018

Reference yield:

3-methylenecyclobutanecarboxylic acid chloride (98198-78-8) + aniline (62-53-3) → 3-methylene-cyclobutanecarboxylic acid anilide (100191-89-7)

Guidance literature:

DOI:10.1021/ja01597a040 DOI:10.1021/ja01520a033

upstream raw materials:

3-methylenecyclobutanecarbonitrile

Downstream raw materials:

3-methylene-cyclobutanecarboxylic acid anilide

methylidenecyclobutane

Refernces