6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione

Base Information

Chemical Name:6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS No.:109737-57-7
Molecular Formula:C11H12BNO4
Molecular Weight:233.032
Hs Code.:2934999090
European Community (EC) Number:693-303-8
DSSTox Substance ID:DTXSID50544762
Nikkaji Number:J3.417.283H
Wikidata:Q82422017
Mol file:109737-57-7.mol

Synonyms:109737-57-7;6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione;Phenylboronic acid MIDA ester;2-Phenyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;109674-45-5;4H-1,3,6,2-Dioxazaborocine-4,8(5H)-dione, dihydro-6-methyl-2-phenyl-;AISHCGVNWMRLOM-UHFFFAOYSA-N;SCHEMBL15669689;DTXSID50544762;AMY17938;MFCD11215250;Phenylboronic acid MIDA ester, 95%;AKOS016012093;AS-2537;CS-0329651;A921846

Suppliers and Price of 6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-Phenyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
50mg
$ 60.00

Sigma-Aldrich
Phenylboronic acid MIDA ester 95%
25g
$ 572.00

Sigma-Aldrich
Phenylboronic acid MIDA ester 95%
5g
$ 131.00

Crysdot
6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione 95+%
100g
$ 842.00

Crysdot
6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione 95+%
5g
$ 94.00

Crysdot
6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione 95+%
25g
$ 277.00

Crysdot
6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione 95+%
10g
$ 149.00

American Custom Chemicals Corporation
PHENYLBORONIC ACID MIDA ESTER 95.00%
1G
$ 148.05

AK Scientific
Phenylboronic acid MIDA ester
250mg
$ 21.00

Total 15 raw suppliers

Chemical Property of 6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione

Chemical Property:

Melting Point:166-170?°C
PSA：55.84000
LogP:-0.64850
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:233.0859380
Heavy Atom Count:17
Complexity:284

Purity/Quality:

97% ^*data from raw suppliers

2-Phenyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 25
Safety Statements: 45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B1(OC(=O)CN(CC(=O)O1)C)C2=CC=CC=C2
Uses Suzuki Cross-Coupling with MIDA Boronates

Technology Process of 6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione

There total 3 articles about 6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione 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: 90.0%

: 4408-64-4
N-methyliminodiacetic acid

: 98-80-6
phenylboronic acid

: 109737-57-7
6-methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione

Guidance literature:: In N,N-dimethyl-formamide; at 120 ℃; Molecular sieve; Inert atmosphere;
DOI:10.1002/ejoc.201900311

Reference yield: 63.0%

: 4408-64-4
N-methyliminodiacetic acid

: 873-51-8
phenylborondichloride

: 109737-57-7
6-methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione

Guidance literature:: In N,N-dimethyl-formamide; at 130 ℃; for 0.0833333h; under 15514.9 Torr; Microwave irradiation;
DOI:10.1016/j.tet.2014.09.044

Reference yield: 32.0%

: 55124-35-1
diisopropylamine borane

: 4408-64-4
N-methyliminodiacetic acid

: 100-58-3
phenylmagnesium bromide

: 109737-57-7
6-methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione

Guidance literature:: diisopropylamine borane; phenylmagnesium bromide; In tetrahydrofuran; at 20 ℃;

N-methyliminodiacetic acid; In tetrahydrofuran;
DOI:10.1016/j.tet.2018.11.036