2-Hydroxymethyl-5-(trifluoromethyl)phenylboronic acid

Base Information

Chemical Name:2-Hydroxymethyl-5-(trifluoromethyl)phenylboronic acid
CAS No.:174671-50-2
Molecular Formula:C₈H₆BF₃O₂
Molecular Weight:201.941
Hs Code.:2931900090
DSSTox Substance ID:DTXSID50695561
Wikidata:Q82624792
Mol file:174671-50-2.mol

Synonyms:2-HYDROXYMETHYL-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID;174671-50-2;(2-(Hydroxymethyl)-5-(trifluoromethyl)phenyl)boronic acid;2121513-82-2;[2-(hydroxymethyl)-5-(trifluoromethyl)phenyl]boronic acid;Boronic acid, B-[2-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-;DTXSID50695561;MFCD20526380;AKOS015856383;CS-0128046;D71710

Suppliers and Price of 2-Hydroxymethyl-5-(trifluoromethyl)phenylboronic acid

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-Hydroxymethyl-5-(trifluoromethyl)phenylboronicacid
100mg
$ 175.00

TRC
2-Hydroxymethyl-5-(trifluoromethyl)phenylboronicacid
50mg
$ 115.00

SynQuest Laboratories
2-Hydroxymethyl-5-(trifluoromethyl)phenylboronic acid
1 g
$ 1432.00

Crysdot
(2-(Hydroxymethyl)-5-(trifluoromethyl)phenyl)boronicacid 95+%
1g
$ 424.00

Chemenu
(2-(Hydroxymethyl)-5-(trifluoromethyl)phenyl)boronicacid 98%
250mg
$ 228.00

Alichem
(2-(Hydroxymethyl)-5-(trifluoromethyl)phenyl)boronicacid
1g
$ 462.24

Total 10 raw suppliers

Chemical Property of 2-Hydroxymethyl-5-(trifluoromethyl)phenylboronic acid

Chemical Property:

PSA：29.46000
LogP:0.92310
Storage Temp.:Room temperature.
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:220.0518588
Heavy Atom Count:15
Complexity:210

Purity/Quality:

97% ^*data from raw suppliers

2-Hydroxymethyl-5-(trifluoromethyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=C(C=CC(=C1)C(F)(F)F)CO)(O)O

Technology Process of 2-Hydroxymethyl-5-(trifluoromethyl)phenylboronic acid

There total 7 articles about 2-Hydroxymethyl-5-(trifluoromethyl)phenylboronic 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: 51.0%

: 4-(trifluoromethyl)-2-formylphenylboronic acid

: 174671-50-2
5-Trifluoromethyl-1,3-dihydro-1-hydroxy-2,1-benzoxaborole

Guidance literature:: [2-formyl-4-(trifluoromethyl)phenyl]boronic acid; With sodium tetrahydroborate; at 20 ℃; for 24h;

With hydrogenchloride; water;
DOI:10.1016/j.bioorg.2021.105560

Reference yield:

: C₁₀H₁₂BF₃O₄

: 174671-50-2
5-Trifluoromethyl-1,3-dihydro-1-hydroxy-2,1-benzoxaborole

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; at 30 ℃;
DOI:10.1021/jm0603724

Reference yield:

: 102684-91-3
2-bromo-5-(trifluoromethyl)benzaldehyde

: 174671-50-2
5-Trifluoromethyl-1,3-dihydro-1-hydroxy-2,1-benzoxaborole

Guidance literature:: Multi-step reaction with 4 steps

1.1: NaBH₄ / methanol / 1 h / 20 °C

2.1: i-Pr₂NEt / CH₂Cl₂ / 20 °C

3.1: n-BuLi / tetrahydrofuran; hexane / 0.75 h / -78 °C

3.2: (i-PrO)3B / tetrahydrofuran; hexane / 1.5 h / -78 - 20 °C

3.3: aq. HCl / tetrahydrofuran; hexane

4.1: aq. HCl / tetrahydrofuran / 30 °C

With hydrogenchloride; sodium tetrahydroborate; n-butyllithium; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; hexane; dichloromethane;
DOI:10.1021/jm0603724