16114-47-9

• 

• Basic information

  1. Product Name: 3,5-Dimethylisoxazole-4-boronic acid
  2. Synonyms: CHEMBRDG-BB 3200973;AKOS BRN-0206;3,5-DIMETHYISOXAZOLE-4-BORONIC ACID;3,5-DIMETHYL-4-ISOXAZOLYLBORONIC ACID;3,5-DIMETHYL-4-ISOXAZOLEBORONIC ACID;3,5-DIMETHYLISOXAZOLE-4-BORONIC ACID;(3,5-DIMETHYLISOXAZOL-4-YL)BORONIC ACID;TIMTEC-BB SBB004160
  3. CAS NO:16114-47-9
  4. Molecular Formula: C₅H₈BNO₃
  5. Molecular Weight: 140.93
  6. EINECS: N/A
  7. Product Categories: Boric Acid| Boric Acid Ester| Potassium Trifluoroborate;Boronic Acids & Esters;Oxazoles, Isoxazoles & Benzoxazoles;Boronic acids;Boronic acid;Isoxazole;Organoborons;Boronic Acids & Esters;Oxazoles, Isoxazoles & Benzoxazoles
  8. Mol File: 16114-47-9.mol
  9. Article Data: 5

• Chemical Properties

  1. Melting Point: 108-113 °C
  2. Boiling Point: 333.977 °C at 760 mmHg
  3. Flash Point: 155.784 °C
  4. Appearance: White to light yellow crystal powder
  5. Density: 1.234 g/cm³
  6. Vapor Pressure: 0mmHg at 25°C
  7. Refractive Index: 1.486
  8. Storage Temp.: 0-6°C
  9. Solubility: N/A
  10. PKA: 6.46±0.58(Predicted)
  11. CAS DataBase Reference: 3,5-Dimethylisoxazole-4-boronic acid(CAS DataBase Reference)
  12. NIST Chemistry Reference: 3,5-Dimethylisoxazole-4-boronic acid(16114-47-9)
  13. EPA Substance Registry System: 3,5-Dimethylisoxazole-4-boronic acid(16114-47-9)

• Safety Data

  1. Hazard Codes: Xi,Xn
  2. Statements: 36/37/38-20/21/22
  3. Safety Statements: 36/37/39-3-26-36
  4. WGK Germany: nwg
  5. RTECS:
  6. HazardClass: IRRITANT, KEEP COLD
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 16114-47-9(Hazardous Substances Data)

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• USD $ 0.1-0.1 / Gram

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16114-47-9 Usage

Chemical Properties

White to light yellow crystal powde

Check Digit Verification of cas no

The CAS Registry Mumber 16114-47-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,1,1 and 4 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 16114-47:
(7*1)+(6*6)+(5*1)+(4*1)+(3*4)+(2*4)+(1*7)=79
79 % 10 = 9
So 16114-47-9 is a valid CAS Registry Number.

InChI:InChI=1/C5H8BNO3/c1-3-5(6(8)9)4(2)10-7-3/h8-9H,1-2H3

16114-47-9 Well-known Company Product Price

• Brand
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• Alfa Aesar

• (H26893)  3,5-Dimethylisoxazole-4-boronic acid, 97%   

• 16114-47-9

• 250mg

• 1270.0CNY

• Detail

• Alfa Aesar

• (H26893)  3,5-Dimethylisoxazole-4-boronic acid, 97%   

• 16114-47-9

• 1g

• 4334.0CNY

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• Alfa Aesar

• (H26893)  3,5-Dimethylisoxazole-4-boronic acid, 97%   

• 16114-47-9

• 5g

• 6174.0CNY

• Detail

• Aldrich

• (720410)  3,5-Dimethylisoxazol-4-yl-4-boronic acid  

• 16114-47-9

• 720410-250MG

• 525.33CNY

• Detail

• Aldrich

• (720410)  3,5-Dimethylisoxazol-4-yl-4-boronic acid  

• 16114-47-9

• 720410-1G

• 1,202.76CNY

• Detail

16114-47-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name	3,5-Dimethylisoxazole-4-boronic acid

1.2 Other means of identification

Product number	-
Other names	(3,5-Dimethylisoxazol-4-yl)boronic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:16114-47-9 SDS

16114-47-9Upstream product

• 832114-00-8 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole 
• 7732-18-5 water 
• 10558-25-5 4-bromo-3,5-dimethyl-1,2-oxazole 
• 5419-55-6 Triisopropyl borate 
• 300-87-8 3,5-dimethyl-1,2-oxazole 
• 10557-85-4 4-iodo-3,5-dimethylisoxazole 

16114-47-9Downstream Products

• 863454-74-4 methyl 3-{[4-(3,5-dimethylisoxazol-4-yl)phenyl]oxy}-5-[(1-methylethyl)oxy]benzoate 
• 718620-24-7 9-(3,5-dimethylisoxazol-4-yl)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-5H-benz[f]-2,5-oxazocine 
• 718620-25-8 8-(3,5-dimethylisoxazol-4-yl)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-5H-benz[f]-2,5-oxazocine 
• 1206904-67-7 (Z)-4-(2-(3,4-dimethoxyphenyl)-2-fluorovinyl)-3,5-dimethylisoxazole 
• 1206904-74-6 (Z)-4-(2-fluoro-2-(3-(pyrimidin-5-yl)phenyl)vinyl)-3,5-dimethylisoxazole 
• 1206904-88-2 (Z)-4-(2-fluoro-2-phenylvinyl)-3,5-dimethylisoxazole 
• 1356599-40-0 3-{2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-{[(2E,2Z)-2-(methoxyimino)-2-phenylethyl]oxy}benzyl)oxy]phenyl}propanoic acid 
• 1356601-02-9 ethyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]propanoate 
• 1356601-04-1 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxyphenyl]propanoic acid 
• 1356600-99-1 ethyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]propanoate 
• 1315179-59-9 1-(5-tert-butoxycarbonylamino-2, 4-difluorophenyl)-7-(3, 5-dimethylisoxazol-4-yl)-2-methyl-1, 4-dihydro-4-oxo-1, 8-naphthyridine 
• 1315179-61-3 1-(2-aminobenzyl)-7-(3, 5-dimethylisoxazol-4-yl)-2-methyl-1, 4-dihydro-4-oxoquinoline 
• 1315180-41-6 C₂₅H₂₃F₃N₄O₄ 
• 1315179-69-1 1-(2-aminobenzyl)-7-(3, 5-dimethylisoxazol-4-yl)-6-fluoro-2-methyl-1, 4-dihydro-4-oxoquinoline 

16114-47-9Relevant articles and documents

Protodeboronation of (Hetero)Arylboronic Esters: Direct versus Prehydrolytic Pathways and Self-/Auto-Catalysis

Hayes, Hannah L. D.,Wei, Ran,Assante, Michele,Geogheghan, Katherine J.,Jin, Na,Tomasi, Simone,Noonan, Gary,Leach, Andrew G.,Lloyd-Jones, Guy C.

supporting information, p. 14814 - 14826 (2021/09/13)

The kinetics and mechanism of the base-catalyzed hydrolysis (ArB(OR)2→ ArB(OH)2) and protodeboronation (ArB(OR)2→ ArH) of a series of boronic esters, encompassing eight different polyols and 10 polyfluoroaryl and heteroaryl moieties, have been investigated by in situ and stopped-flow NMR spectroscopy (19F,1H, and11B), pH-rate dependence, isotope entrainment,2H KIEs, and KS-DFT computations. The study reveals the phenomenological stability of boronic esters under basic aqueous-organic conditions to be highly nuanced. In contrast to common assumption, esterification does not necessarily impart greater stability compared to the corresponding boronic acid. Moreover, hydrolysis of the ester to the boronic acid can be a dominant component of the overall protodeboronation process, augmented by self-, auto-, and oxidative (phenolic) catalysis when the pH is close to the pKaof the boronic acid/ester.

4-(8-METHOXY-1-((1-METHOXYPROPAN-2-YL)-2-(TETRAHYDRO-2H-PYRAN-4-YL)-1 H-IMIDAZO[4,5-C]QUINOLIN-7-YL)-3,5-DIMETHYLISOXAZOLE AND ITS USE AS BROMODOMAIN INHIBITOR

-

Page/Page column 8, (2013/03/26)

Novel quinoline compounds of formula (I), pharmaceutical compositions containing such compounds and their use in therapy, as bromodomain inhibitors.

Synthesis of 4-isoxazoleboronic acids: A new route to 4-isoxazolones

Cogoli, Augusto,Gruenanger, Paolo

, p. 19 - 22 (2007/10/07)

4-Isoxazoleboronic acids have been prepared by interaction of 4-isoxazolylmagnesium iodides with trimethyl borate. Some of their reactions are described; in particular oxidative deboronation represents a new useful route to 4-isoxazolones.

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