Cyclobutanecarboxamide

Base Information

• Chemical Name: Cyclobutanecarboxamide
• CAS No.: 1503-98-6
• Molecular Formula: C5H9NO
• Molecular Weight: 99.1326
• Hs Code.: 2924299090
• European Community (EC) Number: 622-833-4
• DSSTox Substance ID: DTXSID60361563
• Nikkaji Number: J2.884.304F
• Wikidata: Q82143926
• Mol file: 1503-98-6.mol

Synonyms:cyclobutanecarboxamide;1503-98-6;MFCD00029076;DTXSID60361563;AMY32785;CS-D0904;AKOS005362472;AC-29431;AS-12495;SY026669;FT-0624151;EN300-91936;A809039;Z33546656;F1913-0022

Chemical Property of Cyclobutanecarboxamide

Chemical Property:

• Vapor Pressure: 0.017mmHg at 25°C
• Melting Point: 155 °C
• Refractive Index: 1.505
• Boiling Point: 254.7 °C at 760 mmHg
• PKA: 16.74±0.20(Predicted)
• Flash Point: 107.8 °C
• PSA: 43.09000
• Density: 1.108 g/cm³
• LogP: 0.97210
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 99.068413911
• Heavy Atom Count: 7
• Complexity: 86.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclobutanecarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)C(=O)N

Technology Process of Cyclobutanecarboxamide

There total 10 articles about Cyclobutanecarboxamide 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: 71.77%

Cyclobutanecarbonyl chloride (5006-22-4) → cyclobutyl amide (1503-98-6)

Guidance literature:

With ammonia; In dichloromethane; water; at -20 - 20 ℃;

Reference yield: 68.0%

Cyclobutanecarboxylic acid (3721-95-7) → cyclobutyl amide (1503-98-6)

Guidance literature:

Cyclobutanecarboxylic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 2h;

With ammonium hydroxide; In tetrahydrofuran; dichloromethane; at 20 ℃;

Reference yield:

N,N'-(ethane-1,2-diyl)dicyclobutanecarboxamide + acetonitrile (75-05-8,26809-02-9) → cyclobutyl amide (1503-98-6) + cyclobutanecarbonitrile (4426-11-3)

Guidance literature:

With lithium perchlorate; at 40 ℃; for 0.5h; Electrolysis;

DOI:10.1021/acs.orglett.9b02917

upstream raw materials:

Cyclobutanecarbonyl chloride

3-chlorobicyclobutane-1-carbonitrile

Cyclobutanecarboxylic acid

cyclobutane-1,1'-dicarboxylic acid

Downstream raw materials:

1-cyclobutylethanone

cyclobutanecarbonitrile

cyclobutylamine

N-phenylcyclobutanecarboxamide

Refernces

• 1、 -. "BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS". Page/Page column 71. . Retrieved 2020/10/09.
• 2、 -. "Corresponding amine nitrile and method of manufacturing thereof". Paragraph 0133-0136; 0165-0169; 0199-0202. . Retrieved 2017/10/22.