3-(Hydroxymethyl)cyclobutanol

Base Information

• Chemical Name: 3-(Hydroxymethyl)cyclobutanol
• CAS No.: 112623-19-5
• Molecular Formula: C5H10O2
• European Community (EC) Number: 846-507-8
• DSSTox Substance ID: DTXSID70554949
• Mol file: 112623-19-5.mol

Synonyms:3-(hydroxymethyl)cyclobutanol;1245647-03-3;3-(hydroxymethyl)cyclobutan-1-ol;112623-19-5;Cyclobutanemethanol, 3-hydroxy-, cis-;112623-30-0;Cyclobutanemethanol, 3-hydroxy-;trans-3-(hydroxymethyl)cyclobutanol;MFCD09743755;CIS-3-(HYDROXYMETHYL)CYCLOBUTAN-1-OL;Rel-(1r,3r)-3-(hydroxymethyl)cyclobutan-1-ol;3-(hydroxymethyl)-cyclobutanol;SCHEMBL1643502;SCHEMBL9020016;DTXSID70554949;WLZ2828;PJMLHATZVMHVHC-UHFFFAOYSA-N;PJMLHATZVMHVHC-URHBZAFASA-N;VZB64703;(trans)-3-hydroxycyclobutanemethanol;MFCD16660358;AKOS006331663;AM85526;AT35811;AT35812;PB40057;AS-60465;SY207349;(1r,3r)-3-(hydroxymethyl)cyclobutan-1-ol;(1s,3s)-3-(hydroxymethyl)cyclobutan-1-ol;CS-0186717;EN300-246068;N10548;Rel-(1s,3s)-3-(hydroxymethyl)cyclobutan-1-ol;EN300-7100747;EN300-7154885;A890472;RAC-(1R,3R)-3-(HYDROXYMETHYL)CYCLOBUTAN-1-OL

Chemical Property of 3-(Hydroxymethyl)cyclobutanol

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 57.1

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC1O)CO

Technology Process of 3-(Hydroxymethyl)cyclobutanol

There total 4 articles about 3-(Hydroxymethyl)cyclobutanol 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: 98.0%

3-oxocyclobutanecarboxylic acid (23761-23-1) → 3-(hydroxymethyl)cyclobutanol (112623-19-5,1245647-03-3)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at -78 - 20 ℃; for 16h;

Reference yield: 90.0%

methylester of 3-hydroxycyclobutane-1-carboxylic acid (4934-99-0) → 3-(hydroxymethyl)cyclobutanol (112623-19-5,1245647-03-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 24h; Ambient temperature;

Reference yield: 90.0%

→ (1α,3β)-3-hydroxymethylcyclobutanol (112623-30-0,112623-19-5,1245647-03-3)

Guidance literature:

upstream raw materials:

methylester of 3-hydroxycyclobutane-1-carboxylic acid

3-oxocyclobutanecarboxylic acid

methyl 3-oxocyclobutanecarboxylate

Downstream raw materials:

(3-((tert-butyldimethylsilyl)oxy)cyclobutyl)methanol

3-(((tert-butyldimethylsilyl)oxy)methyl)cyclobutan-1-ol

3-((4-bromo-3,5-dimethylphenoxy)methyl)cyclobutanol

3-((4-bromo-3,5-dimethylphenoxy)methyl)cyclobutanone