ChemicalBook--->CAS DataBase List--->4426-47-5

4426-47-5

4426-47-5 Structure

4426-47-5 Structure
IdentificationMore
[Name]

1-Butaneboronic acid
[CAS]

4426-47-5
[Synonyms]

1-BUTANEBORONIC ACID
1-BUTYLBORONIC ACID
1-(dihydroxyboryl)butane
BUTYLBORIC ACID
BUTYLBORONIC ACID
NBBA
N-BUTANEBORONIC ACID
N-BUTYLBORONIC ACID
1-butyldihydroxyborane
BUTYLBORONIC ACID, FOR GC
BURYLBORONIC ACID
N-ButylboronicAci
n-Butylboronicacid,96%
N-Butylboronic
Boronic acid, butyl-
butyl boron dihydroxide
Butylboronic Acid (contains varying amounts of Anhydride) [for Esterification]
Butyldihydroxyborane
Butylboranic acid
Butylboron dihydoxide
[EINECS(EC#)]

224-607-7
[Molecular Formula]

C4H11BO2
[MDL Number]

MFCD00002106
[Molecular Weight]

101.94
[MOL File]

4426-47-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to faintly beige shinying platelets
[Melting point ]

90-92 °C(lit.)
[Boiling point ]

189.2±23.0 °C(Predicted)
[density ]

1.022 g/cm3
[storage temp. ]

0-6°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

10.37±0.43(Predicted)
[color ]

Clear colorless to slightly yellow
[Water Solubility ]

ca 2.5 g/100 mL
[Sensitive ]

Air Sensitive & Hygroscopic
[BRN ]

1733489
[InChI]

InChI=1S/C4H11BO2/c1-3-4(2)5(6)7/h4,6-7H,3H2,1-2H3
[InChIKey]

QPKFVRWIISEVCW-UHFFFAOYSA-N
[SMILES]

CC(B(O)O)CC
[CAS DataBase Reference]

4426-47-5(CAS DataBase Reference)
Questions And AnswerBack Directory
[Synthesis]

Synthesis of 4426-47-5_1
Method 1, Synthesis of n-Butylboronic acid: n-Butylboronic acid was prepared on a medium scale in a 10L reactor by adding BuLi to triisopropyl borate at a temperature of -42 to -50°C to obtain 197g (76%). Vmax was 6.5L (32.5L/kg).
Synthesis of 4426-47-5_2
Method 2: In a 100mL single-necked round flat-bottom flask, add 10mmol of trisubstituted borate ester, 10mmol of bromobutane, 12mmol of magnesium powder, 50mL of tetrahydrofuran dried with potassium hydroxide, and a small amount of iodine. Attach a reflux condenser and subject the mixture to ultrasonic irradiation at different temperatures for 30min in an ultrasonic reactor. After the reaction is complete, adjust the reaction solution to be slightly acidic with 2mol/L hydrochloric acid. After stirring for a while, separate the organic layer, and a white precipitate will form. Extract the aqueous layer twice with 30mL of diethyl ether. Wash the combined organic layers with water, dry them, and remove the solvent by rotary evaporation to obtain the crude product. Purify the crude product by recrystallization with water. Analyze the obtained compound by IR and 1H NMR spectroscopy.

Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
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 .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[F ]

3-10-23
[TSCA ]

No
[HazardClass ]

IRRITANT
[HS Code ]

29319090
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

n-Butylboronic acid(4426-47-5).msds
Hazard InformationBack Directory
[Chemical Properties]

white to faintly beige shinying platelets
[Uses]

1-Butylboronic acid is used as a reagent for preparation of volatile derivatives of diols, e.g. carbohydrates, for GC and mass spectrometry and to prepare chiral oxazaborolidines. It is a precursor to unsymmetric borinic acids, which are inhibitors of serine proteases. Can be used as a transport carrier in membrane-based sugar separations and as an analytical reagent in the determination of serum glucose.
[Uses]

n-Butylboronic acid can be used in suzuki reaction.
[Uses]

n-Butylboronic acid is a boronic acid derivative that can be used as a transport carriers in membrane-based sugar separations. n-Butylboronic acid is used as an analytical reagent in the determination of serum glucose.
[reaction suitability]

reagent type: derivatization reagent
reaction type: Alkylations
[Purification Methods]

Butylboronic acid (1-butanedihydroxyborane) [4426-47-5] M 101.9, m 90 -92o, 94 -96o, pKEst ~8.8.acuo. [Corey et al. J Am Chem Soc 116 3151 1994, Quallich et al. J Am Chem Soc 116 8515 1994, Seerden Tetrahedron Lett 35 4419 1994, Beilstein 4 IV 4383.]
Spectrum DetailBack Directory
[Spectrum Detail]

n-Butylboronic acid(4426-47-5)1HNMR
n-Butylboronic acid(4426-47-5)IR1
n-Butylboronic acid(4426-47-5)IR2
n-Butylboronic acid(4426-47-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Butylboronic acid, 98%(4426-47-5)
[Alfa Aesar]

1-Butylboronic acid, 98%(4426-47-5)
[Sigma Aldrich]

4426-47-5(sigmaaldrich)
[TCI AMERICA]

Butylboronic Acid  (contains varying amounts of Anhydride) [for Esterification](4426-47-5)
4426-47-5 suppliers list
Company Name: Boron Technology (Beijing) Co., Ltd.  Gold
Telephone: 010-15313962280 15313962280
Website: www.pengnuokj.com
Company Name: Tianjin Xinshengjiahe Technology Development Co., Ltd.  Gold
Telephone: 022-83719186 13212251377
Website: http://www.xinshengjiahe.com/
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Shanghai Sinch Parmaceuticals Tech. Co. Ltd.  
Telephone: +86-21-54098501
Website: www.sinch.com.cn
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Beijing VSciChem Technology Co., Ltd.  
Telephone: 13811761079
Website: http://www.vscichem.com
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Telephone: 025-83697070 13770331960
Website: www.echemlin.cn
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Chemsky(shanghai)International Co.,Ltd.  
Telephone: 021-50135380
Website: www.shchemsky.com
Company Name: China DongFan Chemical Co.,LTD  
Telephone: 86-0571-85151182
Website: www.chemicalbook.com/ShowSupplierProductsList14819/0_EN.htm
Tags:4426-47-5 Related Product Information
109-72-8 109-65-9 998-40-3 16343-08-1 28741-08-4 59-30-3 57-11-4 109-69-3 2426-08-6 688-74-4 55896-93-0 1332-07-6 84110-40-7 770-05-8 2528-61-2 77-92-9 21369-64-2 17745-45-8