4-(Methylthio)phenylboronic acid

Product Name: 4-(Methylthio)phenylboronic acid
CAS No.: 98546-51-1
Chemical Name: 4-(Methylthio)phenylboronic acid
Synonyms: AKOS BRN-0127;RARECHEM AH PB 0130;4-BORONOTHIOANISOLE;4-(Methylthio)phenyl;4-THIOANISOLEBORONIC ACID;THIOANISOLE-4-BORONIC ACID;4-Methylthiopenylboronic Acid;4-THIOMETHYLPHENYLBORONIC ACID;P-(METHYLTHIO)PHENYLBORONIC ACID;4-(METHYLTHIO)PHENYLBORONIC ACID
CBNumber: CB1483149
Molecular Formula: C7H9BO2S
Formula Weight: 168.02
MOL File: 98546-51-1.mol

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4-(Methylthio)phenylboronic acid Property

Melting point:: 210-214 °C (lit.)
Boiling point:: 333.5±44.0 °C(Predicted)
Density: 1.22±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
pka: 8.56±0.10(Predicted)
form: Crystalline Powder
color: Off-white
BRN: 3247219
InChI: 1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChIKey: IVUHTLFKBDDICS-UHFFFAOYSA-N
SMILES: CSc1ccc(cc1)B(O)O
CAS DataBase Reference: 98546-51-1(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 37/39-26-36-7/9
WGK Germany: 3
TSCA: No
HazardClass: IRRITANT
HS Code: 29163990
Storage Class: 11 - Combustible Solids

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 456802
Product name: 4-(Methylthio)phenylboronic acid
Purity: ≥95%
Packaging: 5g
Price: $58.02
Updated: 2025/07/31

Sigma-Aldrich

Product number: 456802
Product name: 4-(Methylthio)phenylboronic acid
Purity: ≥95%
Packaging: 1g
Price: $20
Updated: 2023/06/20

TCI Chemical

Product number: M1458
Product name: 4-(Methylthio)phenylboronic Acid (contains varying amounts of Anhydride)
Packaging: 1g
Price: $26
Updated: 2025/07/31

TCI Chemical

Product number: M1458
Product name: 4-(Methylthio)phenylboronic Acid (contains varying amounts of Anhydride)
Packaging: 5g
Price: $101
Updated: 2025/07/31

Strem Chemicals

Product number: 05-1010
Product name: 4-(Methylthiophenyl)boronic acid, min. 97%
Packaging: 1g
Price: $40
Updated: 2024/03/01

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4-(Methylthio)phenylboronic acid Chemical Properties,Usage,Production

Chemical Properties

Off-white crystalline powder

Uses

Reactant involved in:

Suzuki-Miyaura cross coupling reactions with 2-aryl-1-bromo-1-nitroethenes or alkynyl bromides
Addition reactions with naphthyridine N-oxides
Oxyarylation of Heck reaction intermediates for synthesis of THF derivatives
Sulfoxidation reactions
Copper-catalyzed halogenation

Synthesis

104-95-0

98546-51-1

Step 1: Preparation of 4-methylthiophenylboronic acid To a tetrahydrofuran (THF) (15 mL) solution of 4-bromoanisothioether (10) (3 g, 14.8 mmol) cooled to -78 °C and stirred under nitrogen protection, n-butyllithium (n-BuLi) (10 mL) was slowly added. The mixture was warmed to room temperature and stirring was continued for 20 minutes. Subsequently, the mixture was cooled again to -78 °C and a solution of triisopropyl borate (10 mL, 17.7 mmol) in THF (10 mL) was slowly added. After stirring at -78 °C for 1 hour, the mixture was warmed to room temperature and stirring was continued for 2 hours. Upon completion of the reaction, it was acidified with cold 5% hydrochloric acid (HCl), diluted with water (25 mL) and extracted with ethyl acetate. The organic layers were combined, washed sequentially with brine solution (20 mL) and water (20 mL), dried over anhydrous sodium sulfate (Na2SO4) and concentrated. The resulting residue was purified by column chromatography (eluent: ethyl acetate-hexane) to afford the target product 4-methylthiophenylboronic acid (11) (170 mg, 10% yield). 1H NMR (200 MHz, CDCl3): δ 8.10 (d, J=7.9 Hz, 2H), 7.33 (d, J=7.9 Hz, 2H), 2.55 (s, 3H, SCH3), 1.56 (bs, D2O exchangeable, OH), 1.25 (s, exchangeable, OH). IR: vmax (KBr, cm-1): 3406,1594.

References

[1] Journal of Organic Chemistry, 2001, vol. 66, # 6, p. 2104 - 2117
[2] Tetrahedron Letters, 2010, vol. 51, # 52, p. 6839 - 6842
[3] Patent: US2006/128729, 2006, A1. Location in patent: Page/Page column 94
[4] Bioorganic and Medicinal Chemistry, 2007, vol. 15, # 1, p. 305 - 311

4-(Methylthio)phenylboronic acid Preparation Products And Raw materials

Raw materials

Trimethyl borate 4-Bromothiophenol n-Butyllithium Dimethyl sulfate

Preparation Products

6-(4-METHYLSULFANYLPHENYL)PYRIDINE-2-CARBALDEHYDE

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4-(Methylthio)phenylboronic acid Suppliers

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View Lastest Price from 4-(Methylthio)phenylboronic acid manufacturers

Career Henan Chemical Co

Product: 4-(Methylthio)phenylboronic acid 98546-51-1
Price: US $1.00/g
Min. Order: 1g
Purity: 95%~99%
Supply Ability: per week 100kg
Release date: 2019-09-10

98546-51-1, 4-(Methylthio)phenylboronic acidRelated Search:

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(4-thiomethoxyphenyl)boronic acid

4-(Methylsulfanyl)phenylboronic acid, 95%, May contain varying aMounts of anhydride

Boronic acid, B-[4-(methylthio)phenyl]-

THIOANISOLE-4-BORONIC ACID

RARECHEM AH PB 0130

P-(METHYLTHIO)PHENYLBORONIC ACID

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4-(METHYLTHIO)PHENYLBORONIC ACID 97%

4-THIOMETHYLPHENYLBORONIC ACID

4-THIOANISOLEBORONIC ACID

4-(METHYLSULFANYL)PHENYLBORONIC ACID

4-METHYLSULFANYL-BENZENEBORONIC ACID

4-(METHYLTHIO)BENZENEBORONIC ACID

4-(METHYLTHIO)PHENYLBORONIC ACID

4-(METHYLMERCAPTO)BENZENEBORONIC ACID

4-BORONOTHIOANISOLE

AKOS BRN-0127

4-(Methylthio)phenylboronic Acid (contains varying amounts of Anhydride)

Boronic acid, [4-(methylthio)phenyl]-

4-(Methylthio)phenylboronic acid ,98%

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4-(Methylthio)phenylboronic acid,97%

4-(Methylthio)phenylboronic Acid&nbsp

4-(Methylthio)phenyl

4-(Methylsulfanyl)phenylboronic acid, May contain varying amounts of anhydride, 95%

[4-(methylthio)phenyl]boronic acid(SALTDATA: FREE)

4-(Methylthio)phenylboronic acid - [M4660]

98546-51-1

98456-51-1

BORONIC ACID

Boronic Acids and Derivatives

Aryl

Organometallic Reagents

Boronic Acids

B (Classes of Boron Compounds)

Aryl Boronic Acids

Boronic Acids and Derivatives

Chemical Synthesis

Monosubstituted Aryl Boronic Acids

B (Classes of Boron Compounds)

organic or inorganic borate

Boronic Acid

Azoles

blocks

BoronicAcids

Boric Acid

Aryl

Organoborons

Boronic acids

Organometallic Reagents

Boronate Ester

Potassium Trifluoroborate