(3,3-Dimethoxycyclobutyl)methanol

Base Information

• Chemical Name: (3,3-Dimethoxycyclobutyl)methanol
• CAS No.: 175021-11-1
• Molecular Formula: C7H14 O3
• Molecular Weight: 146.186
• Hs Code.: 2942000000
• European Community (EC) Number: 855-596-2
• DSSTox Substance ID: DTXSID00440629
• Wikidata: Q72467851
• Mol file: 175021-11-1.mol

Synonyms:(3,3-dimethoxycyclobutyl)methanol;175021-11-1;MFCD11110681;3,3-Dimethoxycyclobutylmethanol;SCHEMBL1863100;3,3-dimethoxycyclobutyl)methanol;DTXSID00440629;PPZLOPBUFOFNKE-UHFFFAOYSA-N;(3,3-dimethoxy-cyclobutyl)-methanol;AKOS006305864;PB29808;AM806995;AS-50779;SY233908;CS-0172533;FT-0648153;EN300-97656;P11082;A811705;F2147-4322

Chemical Property of (3,3-Dimethoxycyclobutyl)methanol

Chemical Property:

• Vapor Pressure: 0.151mmHg at 25°C
• Boiling Point: 190℃
• Flash Point: 69℃
• PSA: 38.69000
• Density: 1.06
• LogP: 0.37780
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

90.0%Min ^*data from raw suppliers

(3,3-Dimethoxycyclobutyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1(CC(C1)CO)OC

Technology Process of (3,3-Dimethoxycyclobutyl)methanol

There total 6 articles about (3,3-Dimethoxycyclobutyl)methanol 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%

3,3-dimethoxycyclobutanecarboxylic acid methyl ester (98231-07-3) → (3,3-bis-methoxy-cyclobutyl)methanol (175021-11-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 2.5h;

Reference yield:

3-oxocyclobutanecarboxylic acid (23761-23-1) → (3,3-bis-methoxy-cyclobutyl)methanol (175021-11-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / p-TsOH / 8 h / Heating

2: 86 percent / LiAlH₄ / diethyl ether / 2 h / Heating

With lithium aluminium tetrahydride; toluene-4-sulfonic acid; In diethyl ether;

DOI:10.1021/jo951865b

Reference yield:

3-(benzyloxymethyl)-2,2-dichlorocyclobutanone (172324-66-2) → (3,3-bis-methoxy-cyclobutyl)methanol (175021-11-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 56 percent / Zn / acetic acid

2: 95 percent / PTSA / benzene

3: H₂ / Pd/C / methanol

With hydrogen; toluene-4-sulfonic acid; zinc; palladium on activated charcoal; In methanol; acetic acid; benzene;

DOI:10.1016/S0040-4039(03)00081-9

upstream raw materials:

3,3-dimethoxycyclobutanecarboxylic acid methyl ester

2-[(benzyloxy)methyl]-5,8-dioxaspiro[3.4]octane

3-(benzyloxymethyl)-2,2-dichlorocyclobutanone

3-benzyloxymethyl-cyclobutanone

Downstream raw materials:

(3-hydroxycyclobutyl)methyl benzoate

(3-oxo-cyclobutyl)methyl benzoate

((3-((methylsulfonyl)oxy)cyclobutyl)methyl)benzoate

3-(methoxymethyl)cyclobutanone

Refernces

• 1、 -. "COMPOUNDS THAT INHIBIT MCL-1 PROTEIN". Page/Page column 337; 338. . Retrieved 2017/09/15.
• 2、 -. "Substituted purine neuraminidase inhibitor and method of use thereof, and use thereof". Paragraph 0152-0153. . Retrieved 2017/03/08.