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51067-38-0

51067-38-0 Structure

51067-38-0 Structure
IdentificationMore
[Name]

4-PHENOXYPHENYLBORONIC ACID
[CAS]

51067-38-0
[Synonyms]

4-PHENOXYBENZENEBORONIC ACID
4-PHENOXYPHENYLBORONIC ACID
AKOS BRN-0132
(P-PHENOXYPHENYL)BORONIC ACID
RARECHEM AH PB 0260
TIMTEC-BB SBB003409
4-Phenoxybenzeneboronic acid 98%
[EINECS(EC#)]

251-228-4
[Molecular Formula]

C12H11BO3
[MDL Number]

MFCD00093312
[Molecular Weight]

214.02
[MOL File]

51067-38-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white powder and chunk
[Melting point ]

141-145 °C(lit.)
[Boiling point ]

377.0±44.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

0-6°C
[solubility ]

soluble in Methanol
[form ]

Crystalline Powder
[pka]

8.76±0.10(Predicted)
[color ]

White to beige
[InChI]

InChI=1S/C12H11BO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9,14-15H
[InChIKey]

KFXUHRXGLWUOJT-UHFFFAOYSA-N
[SMILES]

B(C1=CC=C(OC2=CC=CC=C2)C=C1)(O)O
[CAS DataBase Reference]

51067-38-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

29319090
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->n-Butyllithium-->Trimethyl borate-->4-Bromophenoxybenzene-->2-Bromodiphenyl ether-->Triisopropyl borate-->Water
[Preparation Products]

4-(Trifluoromethyl)diphenyl ether-->4-Nitrophenyl phenyl ether-->4-Phenoxyphenol-->Benzene, 1-bromo-2-fluoro-4-phenoxy--->3-(4-Phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine-->1-Phenoxy-4-(2-propenyl)benzene
Hazard InformationBack Directory
[Chemical Properties]

white to off-white powder and chunk
[Uses]

suzuki reaction
[Synthesis]

4-Bromodiphenyl ether (100 g, 0.402 mol)Was dissolved in anhydrous THF (800 mL)Under nitrogen protection,Cooled to -78 ° C,N-butyllithium (n-BuLi) (177 mL, 0.442 mol)The temperature is kept below -65 ° C,After stirring for 1 h,Continue to maintain the temperature -60 ,Triisopropyl borate (90 g, 0.482 mol) was added dropwise,Slowly rose to 0 ° C, stir for 3 h.Water (300 mL) was added under ice bath overnight. The reaction solution was concentrated to remove the organic phase,With 12N concentrated hydrochloric acid pH adjusted to 1 ~ 2,Precipitation of solids,Filtration and drying gave 4-phenoxyphenylboronic acid (77 g, yield 90%).
[References]

[1] Patent: CN106146511, 2016, A. Location in patent: Paragraph 0147; 0148; 0149
[2] Organic Process Research and Development, 2018, vol. 22, # 6, p. 741 - 746
[3] Patent: US2002/156081, 2002, A1
[4] Patent: US6921763, 2005, B2
Spectrum DetailBack Directory
[Spectrum Detail]

4-PHENOXYPHENYLBORONIC ACID(51067-38-0)1HNMR
4-PHENOXYPHENYLBORONIC ACID(51067-38-0)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Phenoxyphenylboronic acid, 97%(51067-38-0)
[Sigma Aldrich]

51067-38-0(sigmaaldrich)
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