1-Methylcyclobutanol

Base Information

• Chemical Name: 1-Methylcyclobutanol
• CAS No.: 20117-47-9
• Molecular Formula: C5H10 O
• Molecular Weight: 86.1338
• Hs Code.: 2906199090
• European Community (EC) Number: 819-559-4
• DSSTox Substance ID: DTXSID90173934
• Nikkaji Number: J843.685A
• Mol file: 20117-47-9.mol

Synonyms:1-Methylcyclobutanol;1-methylcyclobutan-1-ol;20117-47-9;cyclobutanol, 1-methyl-;1-methyl-cyclobutanol;MFCD01218890;1-methyl-1-cyclobutanol;DTXSID90173934;DQWVUKFABWSFJD-UHFFFAOYSA-N;AKOS017507568;SB83820;PS-17927;SY196215;CS-0168123;FT-0747589;EN300-83389;A931166;Z1241455013;InChI=1/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H

Chemical Property of 1-Methylcyclobutanol

Chemical Property:

• Vapor Pressure: 11.9mmHg at 25°C
• Boiling Point: 111.3°C at 760 mmHg
• PKA: 15.38±0.20(Predicted)
• Flash Point: 33.7°C
• PSA: 20.23000
• Density: 0.997g/cm³
• LogP: 0.92130
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 86.073164938
• Heavy Atom Count: 6
• Complexity: 55

Purity/Quality:

99% ^*data from raw suppliers

1-METHYLCYCLOBUTAN-1-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC1)O

Technology Process of 1-Methylcyclobutanol

There total 2 articles about 1-Methylcyclobutanol 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:

2-Pentanone (107-87-9) → propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + ethene (74-85-1) + 1-methylcyclobutanol (20117-47-9) + acetaldehyde (75-07-0,9002-91-9) + dimethylglyoxal (431-03-8) + acetone (67-64-1)

Guidance literature:

In [D₃]acetonitrile; at 20 ℃; Irradiation; mechanism of photolysis of methyl n-propyl ketone, methyl benzyl ketone and methyl adamantyl ketone, CIDNP NMR study;

DOI:10.1007/BF00956141

Reference yield:

cyclohexane (110-82-7,25012-93-5) + 2-Pentanone (107-87-9) → ethene (74-85-1) + 1-methylcyclobutanol (20117-47-9) + acetone (67-64-1)

Guidance literature:

at 10 - 15 ℃; Photolysis;

DOI:10.1021/ja01544a092

Reference yield: 85.0%

1-methylcyclobutanol (20117-47-9) → 5-chloro-2-pentanone (5891-21-4)

Guidance literature:

With lead(IV) acetate; lithium chloride; at 20 - 35 ℃; for 4h; mechanical activation;

DOI:10.1007/BF02494851

upstream raw materials:

cyclohexane

2-Pentanone

Downstream raw materials:

1-methylcyclobutan-1-amine

1,2-Dibromopropane

4-methylisopropylbenzene

1,3-diacetoxypropane

Refernces