(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid

Base Information

• Chemical Name: (5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid
• CAS No.: 169126-63-0
• Molecular Formula: C14H21BO2
• Molecular Weight: 232.131
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID10438592
• Nikkaji Number: J781.953F
• Wikidata: Q82254379
• Mol file: 169126-63-0.mol

Synonyms:169126-63-0;(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid;5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2-boronic acid;(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic Acid;MFCD06801711;Boronic acid, B-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-;SCHEMBL2012286;DTXSID10438592;NXBNRLONOXGRCQ-UHFFFAOYSA-N;5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthylboronic acid;AKOS004113853;AB30143;AM806575;AS-73003;SY296764;CS-0029928;FT-0767088;1,1,4,4-Tetramethyltetralin-6-ylboronic acid;A852973;5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylboronic acid;(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronicacid

Chemical Property of (5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid

Chemical Property:

• Melting Point: 195-197℃
• Boiling Point: 362.0±52.0 °C(Predicted)
• PKA: 8.92±0.60(Predicted)
• PSA: 40.46000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 1.71540
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 232.1634601
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

97% ^*data from raw suppliers

5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2-boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC2=C(C=C1)C(CCC2(C)C)(C)C)(O)O

Technology Process of (5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid

There total 2 articles about (5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid 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:

dihydroxyborane (13780-71-7) + Triisopropyl borate (5419-55-6) + 6-bromo-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene (27452-17-1) → 5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthylboronic Acid (169126-63-0)

Guidance literature:

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane;

Reference yield:

6-bromo-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene (27452-17-1) → 5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthylboronic Acid (169126-63-0)

Guidance literature:

Reference yield: 96.0%

morpholine (110-91-8,99108-56-2) + salicylaldehyde (90-02-8) + 5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthylboronic Acid (169126-63-0) → 2-[morpholino(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]phenol (1241944-25-1)

Guidance literature:

at 120 ℃; for 2h; sealed vessel; Microwave irradiation; Neat (no solvent);

DOI:10.1055/s-0029-1218727

upstream raw materials:

dihydroxyborane

Triisopropyl borate

6-bromo-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene

Downstream raw materials:

ethyl 4'-hydroxy-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)biphenyl-4-carboxylate

1,1,4,4-Tetramethyl-6-phenyl-1,2,3,4-tetrahydro-naphthalene

2-[morpholino(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]phenol

C₂₀H₂₃NO₂