2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid

Basic Information

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CAS Number

1048919-15-8

Molecular Formula

C12H14FNO4

Molecular Weight

255.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)Nc1cccc(F)c1C(=O)O

InChI

InChI=1S/C12H14FNO4/c1-12(2,3)18-11(17)14-8-6-4-5-7(13)9(8)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)

InChIKey

ADEVFUGRTWPNPT-UHFFFAOYSA-N

LogP

2.8709000000000007

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

327

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-((tert-Butoxycarbonyl)amino)-6-fluorobenzoic acid
2-[(tert-butoxycarbonyl)amino]-6-fluorobenzoic acid
AB12215
AK470580
2-tert-Butoxycarbonylamino-6-fluorobenzoic acid
2-{[(tert-butoxy)carbonyl]amino}-6-fluorobenzoic acid
Benzoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-6-fluoro-
Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-6-fluoro-
BOC-2-AMINO-6-FLUOROBENZOIC ACID

MDL Number

MFCD02682192

FAQ

What are the physical and chemical properties of 2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 1048919-15-8)?

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid is a white crystalline solid with a molecular weight of approximately 322.22 g/mol. It is slightly soluble in water and ethanol. The compound exhibits good reactivity, particularly with nucleophiles. It is stable under normal conditions but should be handled under an inert atmosphere to prevent decomposition.

How is 2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 1048919-15-8) typically synthesized?

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid is typically synthesized via amidation of 2-fluorobenzoic acid with (2-methyl-2-propanoyloxy)acetic acid. The reaction is catalyzed by a phosphine-based catalyst and proceeds with good selectivity and yield. The product is purified by recrystallization from a suitable solvent.

What industries use 2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 1048919-15-8)?

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid is used in the pharmaceutical industry for the development of certain drugs. It may also find applications in the polymer industry as a monomer or intermediate. Additionally, it could be used in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 1048919-15-8)?

When handling 2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid, it is essential to use appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a cool, dark place and handled under a fume hood to minimize exposure. In case of spill, it should be cleaned up using appropriate procedures, and the area should be properly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and safety information.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

Compound Q&A

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21889-89-46-Methyl-7-oxabicycl...

Compound Q&A

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906353-00-24-[(6-Methyl-2-pyraz...

Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

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Compound Q&A

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Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

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Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

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Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...

Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...

Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid | CAS No. 1048919-15-8

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Class

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 1048919-15-8)?

How is 2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 1048919-15-8) typically synthesized?

What industries use 2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 1048919-15-8)?

What precautions should be taken when handling 2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid (CAS: 1048919-15-8)?

Related Compounds

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Supplier Information

Shanghai Jieshukai Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

HuBeiGuoYunFuRui Technology Co Ltd

ShangHaiMaiKeLinShengHuaKeJi Inc

Shanghai Aladdin Bio-Technologies Co., Ltd.

JiangSuAiKangShengWuYiYaoYanFa Co Ltd

ShangHaiChuangSai Technology Co Ltd

Leyan Reagents

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Shanghai Tengzhun BioScience Co., Ltd.

ShangHaiJiZhiShengHua Technology Co Ltd

Shanghai Hansi Chemical Co., Ltd.

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