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2,4-DIBUTOXYPHENYLBORONIC ACID

2,4-DIBUTOXYPHENYLBORONIC ACID structure

CAS No:
870778-89-5
Formula:
C14H23BO4
Chemical Name:
2,4-DIBUTOXYPHENYLBORONIC ACID
Synonyms:
(2,4-Dibutoxyphenyl)boronic acid;2,4-Dibutoxyphenylboronic acid;ACMC-209qe2;SCHEMBL3790716;2,4-Dibutoxybenzeneboronic Acid;CTK5F7743;DTXSID80584631;KS-00000QF4;ANW-38472;MFCD07784348

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2,4-DIBUTOXYPHENYLBORONIC ACID Basic Attributes

Molecular Weight：

266.15

Exact Mass：

266.168945

DSSTox ID：

DTXSID80584631

HScode：

2931900090

Characteristics

PSA：

58.9

Density：

1.1±0.1 g/cm3

Melting Point：

99-104 °C

Boiling Point：

426.6°C at 760 mmHg

Flash Point：

211.8±31.5 °C

Refractive Index：

1.502

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P273, P501

Hazard Statements：

H413

GHS Classification：

H413 (97.44%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

2,4-DIBUTOXYPHENYLBORONIC ACID Use and Manufacturing

Methods of Manufacturing

General procedure: 50 mL Schlenk tube was charged with (5-formylfuran-2-yl)boronic acid (0.140 g, 1 mmol)and [Pd(PPh3)4] (0.113 g, 0.01 mmol). Dimethoxy ethane (8 mL) and 2m aqueous sodiumcarbonate (2 mL) were added, and the tube was purged with argon gas with fiveevacuate/refill cycles. Compound 5a (0.534 g, 1 mmol) was subsequently added as a neatliquid. The tube was sealed and heated at 908C for 18 h. Upon cooling to ambienttemperature, the organic compounds were extracted into dichloromethane (3× 30 mL) fromwater (30 mL). The combined organic layers were washed with water (1×30 mL) and brine(1×30 mL), dried over Na2SO4, filtered, and the solvent was removed under reduced pressure.The crude product was preadsorbed onto silica gel and purified by column chromatography(9:1 hexane/ethyl acetate) to give 6a (0.395 g, 74%).

Uses

Reactant for:• ;Synthesis of phenoxazine dyes for dye-sensitized solar cells1• ;Sythesis of donors for comparison of structural and spectral characteristics of chromophores for dye-sensitized solar cells2

Computed Properties

Molecular Weight:266.14
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:266.1689394
Monoisotopic Mass:266.1689394
Topological Polar Surface Area:58.9
Heavy Atom Count:19
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,4-DIBUTOXYPHENYLBORONIC ACID

Unit Price: $1 /KG EXW

CAS No.: 870778-89-5

Content: 98%

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Guide of 2,4-DIBUTOXYPHENYLBORONIC ACID

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2,4-DIBUTOXYPHENYLBORONIC ACID

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