2,9,9-Trimethyl-4-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Base Information

• Chemical Name: 2,9,9-Trimethyl-4-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
• CAS No.: 230299-17-9
• Molecular Formula: C₂₀H₃₂B₂O₄
• Molecular Weight: 358.094
• Hs Code.: 2934999090
• European Community (EC) Number: 673-659-0,673-660-6
• Mol file: 230299-17-9.mol

Synonyms:230299-05-5;230299-17-9;MFCD02683578;MFCD27664803;CID 11970270;SY038439;SY038501;FT-0644068;FT-0644070;A878356;(1S,2S,6R,8S)-2,9,9-trimethyl-4-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6]decane;(2S,2'S,6R,6'R)-6,6',9,9,9',9'-Hexamethyl-4,4'-bi(3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane);(3aR,3 inverted exclamation mark aR,4R,4 inverted exclamation mark R,6R,6 inverted exclamation mark R,7aS,7 inverted exclamation mark aS)-3a,3 inverted exclamation mark a,5,5,5 inverted exclamation mark ,5 inverted exclamation mark -Hexamethyldodecahydro-2,2 inverted exclamation mark -bi[4,6-methanobenzo[d][1,3,2]dioxaborole];(3aS,3 inverted exclamation mark aS,4S,4 inverted exclamation mark S,6S,6 inverted exclamation mark S,7aR,7 inverted exclamation mark aR)-3a,3 inverted exclamation mark a,5,5,5 inverted exclamation mark ,5 inverted exclamation mark -Hexamethyldodecahydro-2,2 inverted exclamation mark -bi[4,6-methanobenzo[d][1,3,2]dioxaborole]

Chemical Property of 2,9,9-Trimethyl-4-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Chemical Property:

• Vapor Pressure: 4.56E-05mmHg at 25°C
• Melting Point: 147-151 ºC
• Boiling Point: 360.6°Cat760mmHg
• Flash Point: 171.9°C
• PSA: 36.92000
• Density: 1.12g/cm³
• LogP: 3.52140
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 358.2486698
• Heavy Atom Count: 26
• Complexity: 612

Purity/Quality:

99% ^*data from raw suppliers

Bis[(-)-pinanediolato]diboron ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC2CC3CC(C3(C)C)C2(O1)C)B4OC5CC6CC(C6(C)C)C5(O4)C

Technology Process of 2,9,9-Trimethyl-4-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

There total 1 articles about 2,9,9-Trimethyl-4-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane 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: 94.0%

tetrahydroxydiboron (13675-18-8) + (1R,2R,3S,5R)-2,3-pinane diol (22422-34-0) → bis((-)pinanediolato)diboron (230299-05-5,230299-17-9)

Guidance literature:

In tetrahydrofuran; at 70 ℃; for 3h; Molecular sieve;

DOI:10.1021/jacs.0c04558

Reference yield: 93.0%

bis-(+)-pinanediolato diboron (230299-05-5,230299-17-9) + 4,4,5,5-tetramethyl-2-(1-phenylvinyl)-1,3,2-dioxaborolane (143825-84-7) → (3aS,7aR)-3a,5,5-trimethyl-2-(1-phenylvinyl)hexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole

Guidance literature:

In methanol; at 90 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1039/d1cc05815k

Reference yield: 90.0%

(R)-(-)-N-(4-chlorobenzylidene)-2-methylpropane-2-sulfinamide (507469-89-8) + bis-(+)-pinanediolato diboron (230299-05-5,230299-17-9) → C21H31BClNO3S (1536530-76-3)

Guidance literature:

With 2,5,6,7-tetrahydro-2-phenyl-3H-pyrrolo[2,1-c]-1,2,4-triazol-3-ylidenium chloride; caesium carbonate; copper(l) chloride; at 20 ℃; for 12h;

DOI:10.1039/c4ra02229g

upstream raw materials:

tetrahydroxydiboron

(1R,2R,3S,5R)-2,3-pinane diol

Downstream raw materials:

(2R)-2-((3aS,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)pyrrolidine hydrochloride

C₂₁H₃₂BNO₃S

C₂₂H₃₄BNO₃S

C₁₈H₂₆BNO₂

Refernces