Cyclobutanecarbonyl chloride

Base Information

• Chemical Name: Cyclobutanecarbonyl chloride
• CAS No.: 5006-22-4
• Molecular Formula: C5H7ClO
• Molecular Weight: 118.563
• Hs Code.: 29162090
• European Community (EC) Number: 225-680-8
• NSC Number: 93778
• DSSTox Substance ID: DTXSID40198197
• Nikkaji Number: J203.240F
• Wikidata: Q72459326
• Mol file: 5006-22-4.mol

Synonyms:Cyclobutanecarbonyl chloride;5006-22-4;Cyclobutanecarboxylic acid chloride;Cyclobutanecarbonylchloride;cyclobutylcarbonyl chloride;cyclobutylcarboxylic acid chloride;EINECS 225-680-8;cyclobutane-1-carbonyl chloride;cyclobutanoyl chloride;cyclobutylcarbonylchloride;cyclobutancarbonyl chloride;cyclobutyl carbonylchloride;Cyclobutyl carbonyl chloride;cyclobutane carbonyl chloride;cyclobutane-carbonyl chloride;Cyclobutane carboxyl chloride;Cyclobutanecarboxylic chloride;SCHEMBL126540;DTXSID40198197;Cyclobutanecarbonyl chloride, 98%;cyclobutyl carboxylic acid chloride;Cyclobutane carboxylic acid chloride;cyclobutanecarboxylic acid, chloride;NSC93778;STR05510;MFCD00001319;NSC 93778;NSC-93778;AKOS009156527;BP-20175;FT-0624148;D87747;EN300-127402;W-105991;F2190-0158

Chemical Property of Cyclobutanecarbonyl chloride

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 7.98mmHg at 25°C
• Melting Point: 151-152 °C
• Refractive Index: n20/D 1.455(lit.)
• Boiling Point: 134.7 °C at 760 mmHg
• Flash Point: 42.5 °C
• PSA: 17.07000
• Density: 1.22 g/cm³
• LogP: 1.55190
• Storage Temp.: 0-6°C
• Sensitive.: Moisture Sensitive
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 118.0185425
• Heavy Atom Count: 7
• Complexity: 86.1

Purity/Quality:

98% HPLC ^*data from raw suppliers

Cyclobutanecarbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F; C
• Hazard Codes: C,F
• Statements: 10-34
• Safety Statements: 26-36/37/39-45-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)C(=O)Cl

Technology Process of Cyclobutanecarbonyl chloride

There total 9 articles about Cyclobutanecarbonyl 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: 100.0%

Cyclobutanecarboxylic acid (3721-95-7) → Cyclobutanecarbonyl chloride (5006-22-4)

Guidance literature:

With thionyl chloride; In toluene; Heating;

DOI:10.1016/j.ejmech.2005.02.011

Reference yield:

thionyl chloride (7719-09-7) + Cyclobutanecarboxylic acid (3721-95-7) → Cyclobutanecarbonyl chloride (5006-22-4)

Guidance literature:

With N,N-dimethyl-formamide; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2013.04.042

Reference yield:

diethyl cyclobutane-1,1-dicarboxylate (3779-29-1) → Cyclobutanecarbonyl chloride (5006-22-4)

Guidance literature:

Multi-step reaction with 3 steps

1: H₃O⁺

2: Heating

3: SOCl₂

With thionyl chloride; oxonium;

DOI:10.1016/0022-2860(87)87063-1

upstream raw materials:

Cyclobutanecarboxylic acid

cyclobutane-1,1'-dicarboxylic acid

diethyl cyclobutane-1,1-dicarboxylate

cyclobutyl amide

Downstream raw materials:

ethyl cyclobutylcarboxylate

Cyclobutancarbonsaeure-cyclopropylmethylester

1-cyclobutyl-1-phenyl-methanone

cyclobutanecarboxylic acid phenyl ester

Refernces

• 1、 -. "SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AS FUNGICIDES". Page/Page column 98. . Retrieved 2021/12/31.
• 2、 -. "SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE". Page/Page column 58; 81. . Retrieved 2020/06/10.