80500-28-3|4-Borono-2-nitrobenzoic acid| Ambeed

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Quality Control of [ 80500-28-3 ] Purity: 95% SDS Specification

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Product Details of [ 80500-28-3 ]

CAS No. :	80500-28-3
Formula :	C₇H₆BNO₆
M.W :	210.94
SMILES Code :	O=C(O)C1=CC=C(B(O)O)C=C1[N+]([O-])=O
MDL No. :	MFCD10696661
InChI Key :	APQGIZKNZHGXTG-UHFFFAOYSA-N
Pubchem ID :	329047

Safety of [ 80500-28-3 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302
Precautionary Statements:	P280-P305+P351+P338

Application In Synthesis of [ 80500-28-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 80500-28-3 ]

[ 80500-28-3 ] Synthesis Path-Downstream 1~16

1
[ 64-17-5 ]
[ 80500-28-3 ]
[ 103262-90-4 ]

References: [1]Arkiv foer Kemi,1957,vol. 10,p. 497,503.

2
[ 80500-27-2 ]
[ 80500-28-3 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 3416 - 3419.
[2]Arkiv foer Kemi,1957,vol. 10,p. 497,503.

3
[ 80500-28-3 ]
2-amino-4-dihydroxyboranyl-benzoic acid amide [ No CAS ]

References: [1]Arkiv foer Kemi,1957,vol. 10,p. 497,503.

4
[ 80500-28-3 ]
[ 85107-51-3 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 3416 - 3419.
[2]Arkiv foer Kemi,1957,vol. 10,p. 497,503.

5
[ 80500-28-3 ]
[ 99768-11-3 ]

References: [1]Arkiv foer Kemi,1957,vol. 10,p. 497,503.

6
[ 80500-28-3 ]
[ 109287-48-1 ]

References: [1]Arkiv foer Kemi,1957,vol. 10,p. 497,503.

7
[ 41866-21-1 ]
[ 80500-28-3 ]
C₁₀H₆⁽²⁾H₄BNO₆ [ No CAS ]

References: [1]Organic Mass Spectrometry,1982,vol. 17,p. 508 - 518.

8
[ 80500-28-3 ]
[ 120-80-9 ]
4-Benzo[1,3,2]dioxaborol-2-yl-2-nitro-benzoic acid [ No CAS ]

References: [1]Organic Mass Spectrometry,1982,vol. 17,p. 508 - 518.

9
[ 80500-28-3 ]
[ 107-21-1 ]
4-[1,3,2]Dioxaborolan-2-yl-2-nitro-benzoic acid [ No CAS ]

References: [1]Organic Mass Spectrometry,1982,vol. 17,p. 508 - 518.

10
[ 80500-28-3 ]
[ 504-63-2 ]
4-[1,3,2]Dioxaborinan-2-yl-2-nitro-benzoic acid [ No CAS ]

References: [1]Organic Mass Spectrometry,1982,vol. 17,p. 508 - 518.

11
[ 455-14-1 ]
[ 80500-28-3 ]
C₁₄H₁₀BF₃N₂O₅ [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 5217 - 5221.

12
[ 80500-28-3 ]
[ 717111-69-8 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 5217 - 5221.

13
[ 80500-28-3 ]
[ 89466-07-9 ]

References: [1]Arkiv foer Kemi,1957,vol. 10,p. 497,503.

14
[ 80500-28-3 ]
2,2',2''-triamino-3,5,3',5',3'',5''-hexabromo-4,4',4''-boroxintriyl-tri-benzoic acid [ No CAS ]

References: [1]Arkiv foer Kemi,1957,vol. 10,p. 497,503.

15
[ 80500-28-3 ]
[ 65753-47-1 ]
[ 76-05-1 ]
[ 861102-62-7 ]

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 4 (a) 2-Nitro-4-(3-trifluoromethyl-pyridin-2-yl)-benzoic acid, trifluoroacetic acid salt.; A mixture of 2-chloro-3-trifluoromethyl-pyridine (181 mg, 1 mmol, TCI America), 4-carboxy-3-nitro-phenyl boronic acid (232 mg, 1.1 mmol), Pd(PPh3)4 (81 mg, 0.07 mmol, Aldrich), CsF (380 mg, 2.5 mmol) and water (2 mL) in dioxane (1.5 mL) was heated in a microwave synthesizer at 140 C. for 15 min. The reaction mixture was diluted with water (1 mL) and 1 N NaOH (1 mL), and extracted with diethyl ether (20 mL). The aqueous layer was separated, acidified with 2 N HCl and extracted with EtOAc (2×20 mL). The combined organic extracts were washed with brine, dried over MgSO4 and filtered. The filtrate was evaporated in vacuo and the residue was purified by preparative HPLC (gradient 0.1% trifluoroacetic acid in acetonitrile) to provide the title compound as a brown amorphous solid. MS (ESI, pos. ion) m/z: 313 (M+1).

References: [1]Patent: US2005/165015,2005,A1 .Location in patent: Page/Page column 11.

16
[ 80500-28-3 ]
(4S,7R)-7-((S)-1-acetylpyrrolidine-2-carboxamido)-14-iodo-N,N-dimethyl-6,10-dioxo-1,3,4,5,6,7,8,10-octahydrobenzo[j][1,8,5]oxathiaazacyclododecine-4-carboxamide [ No CAS ]
4-((4S,7R)-7-((S)-1-acetylpyrrolidine-2-carboxamido)-4-(dimethylcarbamoyl)-6,10-dioxo-1,3,4,5,6,7,8,10-octahydrobenzo[j][1,8,5]oxathiaazacyclododecin-14-yl)-2-nitrobenzoic acid [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2022,vol. 65,p. 3473 - 3517.

Historical Records

Technical Information

• Alkyl Halide Occurrence • Arndt-Eistert Homologation • Hunsdiecker-Borodin Reaction • Passerini Reaction • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Carboxylic Acids • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Ugi Reaction

Related Functional Groups of
[ 80500-28-3 ]

Organoborons

A199416 [85107-56-8]

(4-(Methoxycarbonyl)-3-nitrophenyl)boronic acid

Similarity: 0.92

A710013 [2377608-00-7]

(3-Formyl-4-nitrophenyl)boronic acid

Similarity: 0.89

A209915 [101084-81-5]

3-Borono-5-nitrobenzoic acid

Similarity: 0.87

A513877 [1256345-63-7]

(4-Acetyl-3-nitrophenyl)boronic acid

Similarity: 0.82

A555004 [85107-54-6]

4-Carboxy-2-nitrophenylboronic acid

Similarity: 0.82

Aryls

A199416 [85107-56-8]

(4-(Methoxycarbonyl)-3-nitrophenyl)boronic acid

Similarity: 0.92

A710013 [2377608-00-7]

(3-Formyl-4-nitrophenyl)boronic acid

Similarity: 0.89

A209915 [101084-81-5]

3-Borono-5-nitrobenzoic acid

Similarity: 0.87

A513877 [1256345-63-7]

(4-Acetyl-3-nitrophenyl)boronic acid

Similarity: 0.82

A555004 [85107-54-6]

4-Carboxy-2-nitrophenylboronic acid

Similarity: 0.82

Carboxylic Acids

A209915 [101084-81-5]

3-Borono-5-nitrobenzoic acid

Similarity: 0.87

A555004 [85107-54-6]

4-Carboxy-2-nitrophenylboronic acid

Similarity: 0.82

A407977 [15253-04-0]

4-(Hydroxyamino)-2-nitrobenzoic acid

Similarity: 0.82

Nitroes

A199416 [85107-56-8]

(4-(Methoxycarbonyl)-3-nitrophenyl)boronic acid

Similarity: 0.92

A710013 [2377608-00-7]

(3-Formyl-4-nitrophenyl)boronic acid

Similarity: 0.89

A209915 [101084-81-5]

3-Borono-5-nitrobenzoic acid

Similarity: 0.87

A513877 [1256345-63-7]

(4-Acetyl-3-nitrophenyl)boronic acid

Similarity: 0.82

A555004 [85107-54-6]

4-Carboxy-2-nitrophenylboronic acid

Similarity: 0.82

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H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 80500-28-3

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