4-Hydroxymethylbenzocyclobutene

Base Information

• Chemical Name: 4-Hydroxymethylbenzocyclobutene
• CAS No.: 53076-11-2
• Molecular Formula: C₉H₁₀O
• Molecular Weight: 134.178
• Hs Code.: 2906199090
• European Community (EC) Number: 829-388-7
• DSSTox Substance ID: DTXSID90596942
• Wikidata: Q72485068
• Mol file: 53076-11-2.mol

Synonyms:4-hydroxymethylbenzocyclobutene;53076-11-2;Bicyclo[4.2.0]octa-1,3,5,7-tetraen-3-ylmethanol;3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol;1211240-95-7;4-hydroxymethy lbenzocyclobutene;SCHEMBL9320710;4-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol;DTXSID90596942;AKOS006327337;AKOS015890343;4-HYDROXYMETHYL-BENZOCYCLOBUTENE;DS-8035;CS-0044064;(Bicyclo[4.2.0]octa-1,3,5,7-tetraen-3-yl)methanol

Chemical Property of 4-Hydroxymethylbenzocyclobutene

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Boiling Point: 266.319°C at 760 mmHg
• PKA: 14.50±0.10(Predicted)
• Flash Point: 130.67°C
• PSA: 20.23000
• Density: 1.171g/cm³
• LogP: 1.66270
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 132.057514874
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Bicyclo[4.2.0]octa-1,3,5,7-tetraen-3-ylmethanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=C2)CO

Technology Process of 4-Hydroxymethylbenzocyclobutene

There total 4 articles about 4-Hydroxymethylbenzocyclobutene 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: 85.0%

bicyclo[4.2.0]octa-1(6),2,4-triene-3-carbaldehyde (112892-88-3) → bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethanol (53076-11-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃;

DOI:10.1016/S0960-894X(99)00437-0

Reference yield:

hexa-1,5-diyne (628-16-0) + propargyl alcohol (107-19-7) → bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethanol (53076-11-2)

Guidance literature:

Co catalyst; In octane; Heating;

DOI:10.1021/ja00822a052

Reference yield:

benzocyclobutene (694-87-1) → bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethanol (53076-11-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 34 percent / TiCl₄ / CH₂Cl₂ / 0 °C

2: 85 percent / NaBH₄ / methanol / 0 °C

With sodium tetrahydroborate; titanium tetrachloride; In methanol; dichloromethane;

upstream raw materials:

hexa-1,5-diyne

propargyl alcohol

bicyclo[4.2.0]octa-1(6),2,4-triene-3-carbaldehyde

benzocyclobutene

Refernces

• 1、 Kotha, Sambasivarao,Sreenivasachary, Nampally,Halder, Somnath. "First synthesis of optically active benzocyclobutene and biphenylene-based unusual α-amino acid derivatives". . p. 2565 - 2568. Retrieved 2007/10/03.